2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide

C18H24N4O2 — CID 75434309

IUPAC2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESCc1cnn(Cc2ccc(NC(=O)N3CCCCC3CO)cc2)c1
InChIInChI=1S/C18H24N4O2/c1-14-10-19-21(11-14)12-15-5-7-16(8-6-15)20-18(24)22-9-3-2-4-17(22)13-23/h5-8,10-11,17,23H,2-4,9,12-13H2,1H3,(H,20,24)
InChIKeyXLBQSRBEYZKIFQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.62
Rot. Bonds4

About 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide

2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide (PubChem CID 75434309) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide
PubChem CID75434309
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESCc1cnn(Cc2ccc(NC(=O)N3CCCCC3CO)cc2)c1
InChIInChI=1S/C18H24N4O2/c1-14-10-19-21(11-14)12-15-5-7-16(8-6-15)20-18(24)22-9-3-2-4-17(22)13-23/h5-8,10-11,17,23H,2-4,9,12-13H2,1H3,(H,20,24)
InChIKeyXLBQSRBEYZKIFQ-UHFFFAOYSA-N
XLogP2.62
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-1-phenylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562540
1-(2-hydroxy-1-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563288
3-(4-(1H-Pyrazol-4-yl)phenyl)-1-benzyl-1-(2-hydroxyethyl)urea
CID 68565003
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
1-(2-hydroxyethyl)-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 118729135
(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-[4-(1-phenylpyrazol-4-yl)phenyl]-N-propylazetidine-1-carboxamide
CID 137657611
N-{4-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509948
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
1-Methyl-3-(4-methylphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 17509821
3-(2,4-Dimethylphenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45820273
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide (CID 75434309) is 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide is Cc1cnn(Cc2ccc(NC(=O)N3CCCCC3CO)cc2)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The InChIKey is XLBQSRBEYZKIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-10-19-21(11-14)12-15-5-7-16(8-6-15)20-18(24)22-9-3-2-4-17(22)13-23/h5-8,10-11,17,23H,2-4,9,12-13H2,1H3,(H,20,24).
What are the key properties of 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide?
2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 75434309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).