(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide

C16H28N4O — CID 97282831

IUPAC(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCC[C@H](C(=O)NCCCc2cnn(C)c2)C1
InChIInChI=1S/C16H28N4O/c1-13(2)20-9-5-7-15(12-20)16(21)17-8-4-6-14-10-18-19(3)11-14/h10-11,13,15H,4-9,12H2,1-3H3,(H,17,21)/t15-/m0/s1
InChIKeyLADPOYKDNPPWRU-HNNXBMFYSA-N
MW292.43 g/mol
LogP1.59
Rot. Bonds6

About (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide

(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 97282831) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID97282831
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCC[C@H](C(=O)NCCCc2cnn(C)c2)C1
InChIInChI=1S/C16H28N4O/c1-13(2)20-9-5-7-15(12-20)16(21)17-8-4-6-14-10-18-19(3)11-14/h10-11,13,15H,4-9,12H2,1-3H3,(H,17,21)/t15-/m0/s1
InChIKeyLADPOYKDNPPWRU-HNNXBMFYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72919300
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 72916628
(3S)-N-[3-(4-chlorophenyl)propyl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51587994
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72940468
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea
CID 71934161
N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119316160
9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986416
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95115628

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 97282831) is (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCC[C@H](C(=O)NCCCc2cnn(C)c2)C1.
What is the InChIKey of (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is LADPOYKDNPPWRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)20-9-5-7-15(12-20)16(21)17-8-4-6-14-10-18-19(3)11-14/h10-11,13,15H,4-9,12H2,1-3H3,(H,17,21)/t15-/m0/s1.
What are the key properties of (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97282831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).