(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide

C20H27N5O2 — CID 8944646

IUPAC(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C20H27N5O2/c1-14-18(15(2)25(23-14)12-16-7-4-3-5-8-16)11-22-19(26)17-9-6-10-24(13-17)20(21)27/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,21,27)(H,22,26)/t17-/m0/s1
InChIKeyWICFTGCFDDSUQJ-KRWDZBQOSA-N
MW369.47 g/mol
LogP1.96
Rot. Bonds5

About (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 8944646) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID8944646
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C20H27N5O2/c1-14-18(15(2)25(23-14)12-16-7-4-3-5-8-16)11-22-19(26)17-9-6-10-24(13-17)20(21)27/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,21,27)(H,22,26)/t17-/m0/s1
InChIKeyWICFTGCFDDSUQJ-KRWDZBQOSA-N
XLogP1.96
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 17432528
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41077210
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111144686
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739313
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 36923501
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885844
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 41447922
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95115892

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide (CID 8944646) is (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is WICFTGCFDDSUQJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-18(15(2)25(23-14)12-16-7-4-3-5-8-16)11-22-19(26)17-9-6-10-24(13-17)20(21)27/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,21,27)(H,22,26)/t17-/m0/s1.
What are the key properties of (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 8944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).