3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

C20H28N4O2 — CID 138056955

IUPAC3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)N1CCCC(O)(c2ccccc2)C1
InChIInChI=1S/C20H28N4O2/c1-15-18(16(2)23(3)22-15)10-12-21-19(25)24-13-7-11-20(26,14-24)17-8-5-4-6-9-17/h4-6,8-9,26H,7,10-14H2,1-3H3,(H,21,25)
InChIKeyGNIBSRNHMSCJIH-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.27
Rot. Bonds4

About 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide

3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 138056955) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID138056955
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)N1CCCC(O)(c2ccccc2)C1
InChIInChI=1S/C20H28N4O2/c1-15-18(16(2)23(3)22-15)10-12-21-19(25)24-13-7-11-20(26,14-24)17-8-5-4-6-9-17/h4-6,8-9,26H,7,10-14H2,1-3H3,(H,21,25)
InChIKeyGNIBSRNHMSCJIH-UHFFFAOYSA-N
XLogP2.27
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-4-phenylpiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 74231837
4-(cyclopropanecarbonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86802718
(2S)-2-thiophen-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]morpholine-4-carboxamide
CID 124609983
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
1-ethyl-2-[(1-phenylcyclopentyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111852795
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
(1R)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627266
(1S)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124627265

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide (CID 138056955) is 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)N1CCCC(O)(c2ccccc2)C1.
What is the InChIKey of 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is GNIBSRNHMSCJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-18(16(2)23(3)22-15)10-12-21-19(25)24-13-7-11-20(26,14-24)17-8-5-4-6-9-17/h4-6,8-9,26H,7,10-14H2,1-3H3,(H,21,25).
What are the key properties of 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide?
3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 138056955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).