(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide

C16H20N4O2 — CID 129484487

IUPAC(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C16H20N4O2/c17-15(21)16(22)7-1-9-19(12-16)11-13-3-5-14(6-4-13)20-10-2-8-18-20/h2-6,8,10,22H,1,7,9,11-12H2,(H2,17,21)/t16-/m0/s1
InChIKeyQRNTWXDTQMTTEH-INIZCTEOSA-N
MW300.36 g/mol
LogP0.68
Rot. Bonds4

About (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 129484487) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID129484487
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(Cc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C16H20N4O2/c17-15(21)16(22)7-1-9-19(12-16)11-13-3-5-14(6-4-13)20-10-2-8-18-20/h2-6,8,10,22H,1,7,9,11-12H2,(H2,17,21)/t16-/m0/s1
InChIKeyQRNTWXDTQMTTEH-INIZCTEOSA-N
XLogP0.68
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
(3R)-3-hydroxy-1-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 129484490
2-(2-hydroxyethyl)-8-[(4-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70741090
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 128982995
[3-(4-methylphenoxy)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 71137601
(3S)-1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 100647776
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 129484487) is (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(Cc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QRNTWXDTQMTTEH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15(21)16(22)7-1-9-19(12-16)11-13-3-5-14(6-4-13)20-10-2-8-18-20/h2-6,8,10,22H,1,7,9,11-12H2,(H2,17,21)/t16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 129484487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).