(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

C19H26N4O2 — CID 126440405

IUPAC(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC[C@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C19H26N4O2/c24-14-13-23-12-9-18(21-23)17-7-4-11-22(15-17)19(25)20-10-8-16-5-2-1-3-6-16/h1-3,5-6,9,12,17,24H,4,7-8,10-11,13-15H2,(H,20,25)/t17-/m0/s1
InChIKeyDRWGKQFSJMVMQX-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.01
Rot. Bonds6

About (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (PubChem CID 126440405) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
PubChem CID126440405
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC[C@H](c2ccn(CCO)n2)C1
InChIInChI=1S/C19H26N4O2/c24-14-13-23-12-9-18(21-23)17-7-4-11-22(15-17)19(25)20-10-8-16-5-2-1-3-6-16/h1-3,5-6,9,12,17,24H,4,7-8,10-11,13-15H2,(H,20,25)/t17-/m0/s1
InChIKeyDRWGKQFSJMVMQX-KRWDZBQOSA-N
XLogP2.01
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 126434627
1-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 126443917
N-benzyl-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 121021056
1-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119064677
3-[4-(dimethylamino)phenyl]-1-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propan-1-one
CID 126434306
[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 119062968
(3R)-N-(3-chloro-2-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 126434611
4-[[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methyl]benzoic acid
CID 126443440
[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126426841
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
2-[3-[(3S)-1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126434724

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide (CID 126440405) is (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCC[C@H](c2ccn(CCO)n2)C1.
What is the InChIKey of (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
The InChIKey is DRWGKQFSJMVMQX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-14-13-23-12-9-18(21-23)17-7-4-11-22(15-17)19(25)20-10-8-16-5-2-1-3-6-16/h1-3,5-6,9,12,17,24H,4,7-8,10-11,13-15H2,(H,20,25)/t17-/m0/s1.
What are the key properties of (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide?
(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126440405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).