(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide

C18H24N4O2 — CID 99791560

IUPAC(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C18H24N4O2/c1-13-11-22(14(2)15-7-4-3-5-8-15)20-17(13)19-18(24)21-10-6-9-16(23)12-21/h3-5,7-8,11,14,16,23H,6,9-10,12H2,1-2H3,(H,19,20,24)/t14-,16+/m1/s1
InChIKeyYCRIAUDPRLDZKH-ZBFHGGJFSA-N
MW328.42 g/mol
LogP2.79
Rot. Bonds3

About (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide

(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 99791560) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID99791560
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C18H24N4O2/c1-13-11-22(14(2)15-7-4-3-5-8-15)20-17(13)19-18(24)21-10-6-9-16(23)12-21/h3-5,7-8,11,14,16,23H,6,9-10,12H2,1-2H3,(H,19,20,24)/t14-,16+/m1/s1
InChIKeyYCRIAUDPRLDZKH-ZBFHGGJFSA-N
XLogP2.79
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
CID 119045598
1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]urea
CID 119045608
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
(3S)-3-hydroxy-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 95046033
[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 107224574
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 48739524
9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867151

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide (CID 99791560) is (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide is Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is YCRIAUDPRLDZKH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-22(14(2)15-7-4-3-5-8-15)20-17(13)19-18(24)21-10-6-9-16(23)12-21/h3-5,7-8,11,14,16,23H,6,9-10,12H2,1-2H3,(H,19,20,24)/t14-,16+/m1/s1.
What are the key properties of (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide?
(3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[4-methyl-1-[(1R)-1-phenylethyl]pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 99791560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).