(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C21H28N4O2 — CID 97137325

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C21H28N4O2/c26-21(19-13-23-24-20(19)16-7-2-1-3-8-16)25-12-6-10-18(14-25)27-15-17-9-4-5-11-22-17/h4-5,9,11,13,16,18H,1-3,6-8,10,12,14-15H2,(H,23,24)/t18-/m0/s1
InChIKeyJRUVAMYEBKMCIH-SFHVURJKSA-N
MW368.48 g/mol
LogP3.67
Rot. Bonds5

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 97137325) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID97137325
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C21H28N4O2/c26-21(19-13-23-24-20(19)16-7-2-1-3-8-16)25-12-6-10-18(14-25)27-15-17-9-4-5-11-22-17/h4-5,9,11,13,16,18H,1-3,6-8,10,12,14-15H2,(H,23,24)/t18-/m0/s1
InChIKeyJRUVAMYEBKMCIH-SFHVURJKSA-N
XLogP3.67
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 96574450
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 78081491
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
6-(2-methylpropyl)-4-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]-1H-pyrimidin-2-one
CID 99950657
3-[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72844387

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 97137325) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCC[C@H](OCc2ccccn2)C1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is JRUVAMYEBKMCIH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-21(19-13-23-24-20(19)16-7-2-1-3-8-16)25-12-6-10-18(14-25)27-15-17-9-4-5-11-22-17/h4-5,9,11,13,16,18H,1-3,6-8,10,12,14-15H2,(H,23,24)/t18-/m0/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 97137325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).