N-butyl-3-piperidin-3-ylbenzamide

C16H24N2O — CID 172654408

IUPACN-butyl-3-piperidin-3-ylbenzamide
SMILESCCCCNC(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C16H24N2O/c1-2-3-10-18-16(19)14-7-4-6-13(11-14)15-8-5-9-17-12-15/h4,6-7,11,15,17H,2-3,5,8-10,12H2,1H3,(H,18,19)
InChIKeyMPGZTWJUCRHGDB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.68
Rot. Bonds5

About N-butyl-3-piperidin-3-ylbenzamide

N-butyl-3-piperidin-3-ylbenzamide (PubChem CID 172654408) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-butyl-3-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-butyl-3-piperidin-3-ylbenzamide
PubChem CID172654408
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-butyl-3-piperidin-3-ylbenzamide
SMILESCCCCNC(=O)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C16H24N2O/c1-2-3-10-18-16(19)14-7-4-6-13(11-14)15-8-5-9-17-12-15/h4,6-7,11,15,17H,2-3,5,8-10,12H2,1H3,(H,18,19)
InChIKeyMPGZTWJUCRHGDB-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97200911
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77097142
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97211128
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-piperidin-3-ylbenzamide?
The IUPAC name of N-butyl-3-piperidin-3-ylbenzamide (CID 172654408) is N-butyl-3-piperidin-3-ylbenzamide.
What is the SMILES notation for N-butyl-3-piperidin-3-ylbenzamide?
The canonical SMILES for N-butyl-3-piperidin-3-ylbenzamide is CCCCNC(=O)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-butyl-3-piperidin-3-ylbenzamide?
The InChIKey is MPGZTWJUCRHGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-10-18-16(19)14-7-4-6-13(11-14)15-8-5-9-17-12-15/h4,6-7,11,15,17H,2-3,5,8-10,12H2,1H3,(H,18,19).
What are the key properties of N-butyl-3-piperidin-3-ylbenzamide?
N-butyl-3-piperidin-3-ylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-piperidin-3-ylbenzamide is sourced from PubChem (CID 172654408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).