N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride

C19H27ClN4O — CID 119699555

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-15(17-7-9-20-10-8-17)11-19(24)21-12-16-13-22-23(14-16)18-5-3-2-4-6-18;/h2-6,13-15,17,20H,7-12H2,1H3,(H,21,24);1H
InChIKeyQZNKPLHKJTUIMT-UHFFFAOYSA-N
MW362.91 g/mol
LogP2.94
Rot. Bonds6

About N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119699555) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119699555
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCNCC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-15(17-7-9-20-10-8-17)11-19(24)21-12-16-13-22-23(14-16)18-5-3-2-4-6-18;/h2-6,13-15,17,20H,7-12H2,1H3,(H,21,24);1H
InChIKeyQZNKPLHKJTUIMT-UHFFFAOYSA-N
XLogP2.94
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119699555) is N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCNCC1.Cl.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is QZNKPLHKJTUIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-15(17-7-9-20-10-8-17)11-19(24)21-12-16-13-22-23(14-16)18-5-3-2-4-6-18;/h2-6,13-15,17,20H,7-12H2,1H3,(H,21,24);1H.
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119699555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).