(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

C16H28N4O — CID 97080755

IUPAC(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(C)C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C16H28N4O/c1-12(2)9-15-7-5-6-8-20(15)16(21)18-13(3)14-10-17-19(4)11-14/h10-13,15H,5-9H2,1-4H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyAAJIRHUITZKSOD-ZFWWWQNUSA-N
MW292.43 g/mol
LogP3.09
Rot. Bonds4

About (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 97080755) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID97080755
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(C)C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C16H28N4O/c1-12(2)9-15-7-5-6-8-20(15)16(21)18-13(3)14-10-17-19(4)11-14/h10-13,15H,5-9H2,1-4H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyAAJIRHUITZKSOD-ZFWWWQNUSA-N
XLogP3.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
CID 71868116
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide
CID 75375373
(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 95635629
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
CID 112747922
1-[(2S,3S)-2-(2-methylpropyl)oxan-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 129471752
2-(1-methylpyrazol-4-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]acetic acid
CID 115289355
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111631153
(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
CID 95134126
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124591057
(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 95134922

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (CID 97080755) is (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is CC(C)C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cnn(C)c1.
What is the InChIKey of (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is AAJIRHUITZKSOD-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)9-15-7-5-6-8-20(15)16(21)18-13(3)14-10-17-19(4)11-14/h10-13,15H,5-9H2,1-4H3,(H,18,21)/t13-,15-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97080755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).