4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide

C18H29N3O — CID 110444431

IUPAC4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-20(2)17-10-8-16(9-11-17)18(22)19-12-4-7-15-21-13-5-3-6-14-21/h8-11H,3-7,12-15H2,1-2H3,(H,19,22)
InChIKeyLAEBYXJMJQBKBN-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.75
Rot. Bonds7

About 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide

4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide (PubChem CID 110444431) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
PubChem CID110444431
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-20(2)17-10-8-16(9-11-17)18(22)19-12-4-7-15-21-13-5-3-6-14-21/h8-11H,3-7,12-15H2,1-2H3,(H,19,22)
InChIKeyLAEBYXJMJQBKBN-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide (CID 110444431) is 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide is CN(C)c1ccc(C(=O)NCCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide?
The InChIKey is LAEBYXJMJQBKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)17-10-8-16(9-11-17)18(22)19-12-4-7-15-21-13-5-3-6-14-21/h8-11H,3-7,12-15H2,1-2H3,(H,19,22).
What are the key properties of 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide?
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide is sourced from PubChem (CID 110444431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).