(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide

C18H29N5O2 — CID 124618097

IUPAC(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
SMILESCc1cc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H](C)C3)C2=O)n(C)n1
InChIInChI=1S/C18H29N5O2/c1-13-7-4-5-9-22(12-13)18(25)19-15-8-6-10-23(17(15)24)16-11-14(2)20-21(16)3/h11,13,15H,4-10,12H2,1-3H3,(H,19,25)/t13-,15-/m1/s1
InChIKeyQMAGHLGFOSPFNH-UKRRQHHQSA-N
MW347.46 g/mol
LogP2.06
Rot. Bonds2

About (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide

(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide (PubChem CID 124618097) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
PubChem CID124618097
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
SMILESCc1cc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H](C)C3)C2=O)n(C)n1
InChIInChI=1S/C18H29N5O2/c1-13-7-4-5-9-22(12-13)18(25)19-15-8-6-10-23(17(15)24)16-11-14(2)20-21(16)3/h11,13,15H,4-10,12H2,1-3H3,(H,19,25)/t13-,15-/m1/s1
InChIKeyQMAGHLGFOSPFNH-UKRRQHHQSA-N
XLogP2.06
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide with MolForge

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Related Compounds

3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 75512323
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136536189
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551878
5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 125146648
2-[2-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551885
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576
1-[[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122012001
(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328277
N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 97218403
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 154749426
4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 129470983

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide (CID 124618097) is (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide?
The canonical SMILES for (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide is Cc1cc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H](C)C3)C2=O)n(C)n1.
What is the InChIKey of (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide?
The InChIKey is QMAGHLGFOSPFNH-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-7-4-5-9-22(12-13)18(25)19-15-8-6-10-23(17(15)24)16-11-14(2)20-21(16)3/h11,13,15H,4-10,12H2,1-3H3,(H,19,25)/t13-,15-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide?
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide is sourced from PubChem (CID 124618097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).