N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide

C19H26N4O — CID 119856068

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(-c2nccn2C)c1)C1CCCNC1
InChIInChI=1S/C19H26N4O/c1-14(16-6-4-8-20-13-16)11-18(24)22-17-7-3-5-15(12-17)19-21-9-10-23(19)2/h3,5,7,9-10,12,14,16,20H,4,6,8,11,13H2,1-2H3,(H,22,24)
InChIKeyPSRIMLPDZJNIST-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.05
Rot. Bonds5

About N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide

N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119856068) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119856068
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(-c2nccn2C)c1)C1CCCNC1
InChIInChI=1S/C19H26N4O/c1-14(16-6-4-8-20-13-16)11-18(24)22-17-7-3-5-15(12-17)19-21-9-10-23(19)2/h3,5,7,9-10,12,14,16,20H,4,6,8,11,13H2,1-2H3,(H,22,24)
InChIKeyPSRIMLPDZJNIST-UHFFFAOYSA-N
XLogP3.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119699342
3-piperidin-3-yl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]butanamide;hydrochloride
CID 119680960
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119808894
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide (CID 119856068) is N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1cccc(-c2nccn2C)c1)C1CCCNC1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is PSRIMLPDZJNIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(16-6-4-8-20-13-16)11-18(24)22-17-7-3-5-15(12-17)19-21-9-10-23(19)2/h3,5,7,9-10,12,14,16,20H,4,6,8,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 326.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119856068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).