(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide

C16H28N4O — CID 120640177

IUPAC(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCCc1nn(C)c(CC)c1CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H28N4O/c1-5-14-13(15(6-2)20(4)19-14)10-18-16(21)12-7-8-17-11(3)9-12/h11-12,17H,5-10H2,1-4H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyAFUSMBFXQHBLLT-RYUDHWBXSA-N
MW292.43 g/mol
LogP1.55
Rot. Bonds5

About (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120640177) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120640177
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCCc1nn(C)c(CC)c1CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H28N4O/c1-5-14-13(15(6-2)20(4)19-14)10-18-16(21)12-7-8-17-11(3)9-12/h11-12,17H,5-10H2,1-4H3,(H,18,21)/t11-,12-/m0/s1
InChIKeyAFUSMBFXQHBLLT-RYUDHWBXSA-N
XLogP1.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739794
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739536
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-2-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 120622970
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide (CID 120640177) is (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide is CCc1nn(C)c(CC)c1CNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is AFUSMBFXQHBLLT-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-14-13(15(6-2)20(4)19-14)10-18-16(21)12-7-8-17-11(3)9-12/h11-12,17H,5-10H2,1-4H3,(H,18,21)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120640177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).