N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide

C17H26N4O2 — CID 154773993

IUPACN-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)20(3)16(22)12-7-9-21(10-8-12)17(23)15-13-5-4-6-14(13)18-19-15/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyQESNQQHAOOISBU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide

N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 154773993) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID154773993
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1
InChIInChI=1S/C17H26N4O2/c1-11(2)20(3)16(22)12-7-9-21(10-8-12)17(23)15-13-5-4-6-14(13)18-19-15/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyQESNQQHAOOISBU-UHFFFAOYSA-N
XLogP1.62
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(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
(4aS,9aS)-4-propan-2-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127022
[(4S)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 129339517
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 91652591
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
ethyl 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-1-carboxylate
CID 110388853
(4-imidazol-1-ylpiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 138993158
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 70744636
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)methanone
CID 110123275

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide (CID 154773993) is N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1.
What is the InChIKey of N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is QESNQQHAOOISBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(2)20(3)16(22)12-7-9-21(10-8-12)17(23)15-13-5-4-6-14(13)18-19-15/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide?
N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 154773993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).