3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride

C18H26ClN5O — CID 122084280

IUPAC3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCc1cccnc1-n1cccn1)C1CCNCC1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-14(15-5-9-19-10-6-15)12-17(24)21-13-16-4-2-7-20-18(16)23-11-3-8-22-23;/h2-4,7-8,11,14-15,19H,5-6,9-10,12-13H2,1H3,(H,21,24);1H
InChIKeyIVTCAKUUYUJWKZ-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.33
Rot. Bonds6

About 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride

3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride (PubChem CID 122084280) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
PubChem CID122084280
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
SMILESCC(CC(=O)NCc1cccnc1-n1cccn1)C1CCNCC1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-14(15-5-9-19-10-6-15)12-17(24)21-13-16-4-2-7-20-18(16)23-11-3-8-22-23;/h2-4,7-8,11,14-15,19H,5-6,9-10,12-13H2,1H3,(H,21,24);1H
InChIKeyIVTCAKUUYUJWKZ-UHFFFAOYSA-N
XLogP2.33
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119892786
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[[2-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119739883
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
N-[(2,3-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119708893
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride (CID 122084280) is 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride is CC(CC(=O)NCc1cccnc1-n1cccn1)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride?
The InChIKey is IVTCAKUUYUJWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-14(15-5-9-19-10-6-15)12-17(24)21-13-16-4-2-7-20-18(16)23-11-3-8-22-23;/h2-4,7-8,11,14-15,19H,5-6,9-10,12-13H2,1H3,(H,21,24);1H.
What are the key properties of 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 122084280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).