(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide

C16H26N4O3 — CID 164630590

IUPAC(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(C2CCCCC2)n1)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C16H26N4O3/c21-12-16(23)8-4-9-19(11-16)15(22)17-14-7-10-20(18-14)13-5-2-1-3-6-13/h7,10,13,21,23H,1-6,8-9,11-12H2,(H,17,18,22)/t16-/m0/s1
InChIKeyRIOHYICPWIGNLU-INIZCTEOSA-N
MW322.41 g/mol
LogP1.74
Rot. Bonds3

About (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 164630590) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID164630590
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccn(C2CCCCC2)n1)N1CCC[C@@](O)(CO)C1
InChIInChI=1S/C16H26N4O3/c21-12-16(23)8-4-9-19(11-16)15(22)17-14-7-10-20(18-14)13-5-2-1-3-6-13/h7,10,13,21,23H,1-6,8-9,11-12H2,(H,17,18,22)/t16-/m0/s1
InChIKeyRIOHYICPWIGNLU-INIZCTEOSA-N
XLogP1.74
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(1-cyclohexylpyrazol-3-yl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 164635885
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
CID 127949949
N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129334130
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
N-(1-cyclopropylpyrazol-3-yl)propanamide
CID 170387094
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916
N-[1-[(3S)-1-[(2R)-2-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326625
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95716026

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide (CID 164630590) is (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccn(C2CCCCC2)n1)N1CCC[C@@](O)(CO)C1.
What is the InChIKey of (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is RIOHYICPWIGNLU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-12-16(23)8-4-9-19(11-16)15(22)17-14-7-10-20(18-14)13-5-2-1-3-6-13/h7,10,13,21,23H,1-6,8-9,11-12H2,(H,17,18,22)/t16-/m0/s1.
What are the key properties of (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 164630590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).