(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone

C22H31N5O2 — CID 146046744

IUPAC(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone
SMILESCN1CCCC(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C22H31N5O2/c1-25-9-3-4-13(10-25)21(28)26-11-15-16(12-26)19-8-7-18(15)27(19)22(29)20-14-5-2-6-17(14)23-24-20/h13,15-16,18-19H,2-12H2,1H3,(H,23,24)/t13?,15-,16+,18-,19+
InChIKeyMPLVGNIUMNAWCO-LYJDAWSMSA-N
MW397.52 g/mol
LogP1.30
Rot. Bonds2

About (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone

(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone (PubChem CID 146046744) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone
PubChem CID146046744
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone
SMILESCN1CCCC(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)c2n[nH]c3c2CCC3)C1
InChIInChI=1S/C22H31N5O2/c1-25-9-3-4-13(10-25)21(28)26-11-15-16(12-26)19-8-7-18(15)27(19)22(29)20-14-5-2-6-17(14)23-24-20/h13,15-16,18-19H,2-12H2,1H3,(H,23,24)/t13?,15-,16+,18-,19+
InChIKeyMPLVGNIUMNAWCO-LYJDAWSMSA-N
XLogP1.30
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
(5R)-1-methyl-5-[8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-4-carbonyl]pyrrolidin-2-one
CID 167844601
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110674214
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
4-ethyl-2-methyl-5-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95213380
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 154820175
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608092

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone (CID 146046744) is (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone is CN1CCCC(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]2CC[C@H]3N2C(=O)c2n[nH]c3c2CCC3)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone?
The InChIKey is MPLVGNIUMNAWCO-LYJDAWSMSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-25-9-3-4-13(10-25)21(28)26-11-15-16(12-26)19-8-7-18(15)27(19)22(29)20-14-5-2-6-17(14)23-24-20/h13,15-16,18-19H,2-12H2,1H3,(H,23,24)/t13?,15-,16+,18-,19+.
What are the key properties of (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone?
(1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-[(1R,2S,6R,7S)-10-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methanone is sourced from PubChem (CID 146046744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).