3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide

C16H20N4O2 — CID 111458967

IUPAC3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-13-5-4-8-19(10-13)16(22)18-14-9-17-20(11-14)15-6-2-1-3-7-15/h1-3,6-7,9,11,13,21H,4-5,8,10,12H2,(H,18,22)
InChIKeyHTGOOHXWTBWFMC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.11
Rot. Bonds3

About 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 111458967) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID111458967
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C16H20N4O2/c21-12-13-5-4-8-19(10-13)16(22)18-14-9-17-20(11-14)15-6-2-1-3-7-15/h1-3,6-7,9,11,13,21H,4-5,8,10,12H2,(H,18,22)
InChIKeyHTGOOHXWTBWFMC-UHFFFAOYSA-N
XLogP2.11
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
9-methyl-N-(1-phenylpyrazol-4-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867133
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111566301
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
N-[1-[4-[(3R)-3-phenylpiperidine-1-carbonyl]phenyl]pyrazol-4-yl]acetamide
CID 42163849
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
(3S)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 125179775

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide (CID 111458967) is 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide is O=C(Nc1cnn(-c2ccccc2)c1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is HTGOOHXWTBWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-12-13-5-4-8-19(10-13)16(22)18-14-9-17-20(11-14)15-6-2-1-3-7-15/h1-3,6-7,9,11,13,21H,4-5,8,10,12H2,(H,18,22).
What are the key properties of 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 111458967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).