(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C16H25N5O2 — CID 52858730

IUPAC(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-12-4-7-20(8-5-12)15(22)13-3-2-6-21(11-13)16(23)19-14-9-17-18-10-14/h9-10,12-13H,2-8,11H2,1H3,(H,17,18)(H,19,23)/t13-/m0/s1
InChIKeyPUDBISCJJKPJQX-ZDUSSCGKSA-N
MW319.41 g/mol
LogP1.91
Rot. Bonds2

About (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 52858730) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID52858730
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-12-4-7-20(8-5-12)15(22)13-3-2-6-21(11-13)16(23)19-14-9-17-18-10-14/h9-10,12-13H,2-8,11H2,1H3,(H,17,18)(H,19,23)/t13-/m0/s1
InChIKeyPUDBISCJJKPJQX-ZDUSSCGKSA-N
XLogP1.91
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 95156850
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
CID 126841029
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 47388339
4-[acetyl(methyl)amino]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75462464
(4-methylpiperidin-1-yl)-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 816652
1-[(3S)-3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 95980745
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52508463

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 52858730) is (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide is CC1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3cn[nH]c3)C2)CC1.
What is the InChIKey of (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is PUDBISCJJKPJQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-4-7-20(8-5-12)15(22)13-3-2-6-21(11-13)16(23)19-14-9-17-18-10-14/h9-10,12-13H,2-8,11H2,1H3,(H,17,18)(H,19,23)/t13-/m0/s1.
What are the key properties of (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 52858730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).