N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide

C18H29N3O — CID 41455697

IUPACN-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-20(2)12-6-11-19-18(22)17-9-7-16(8-10-17)15-21-13-4-3-5-14-21/h7-10H,3-6,11-15H2,1-2H3,(H,19,22)
InChIKeyWBAMTFPAGYUACS-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.35
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide

N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 41455697) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID41455697
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-20(2)12-6-11-19-18(22)17-9-7-16(8-10-17)15-21-13-4-3-5-14-21/h7-10H,3-6,11-15H2,1-2H3,(H,19,22)
InChIKeyWBAMTFPAGYUACS-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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

N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
N-[3-(dimethylamino)propyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38106007
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[3-(dimethylamino)propyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43910375
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
4-(azepan-1-ylmethyl)-N-[3-(2-oxo-1-pyridinyl)propyl]benzamide
CID 90652688
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide (CID 41455697) is N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide is CN(C)CCCNC(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is WBAMTFPAGYUACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)12-6-11-19-18(22)17-9-7-16(8-10-17)15-21-13-4-3-5-14-21/h7-10H,3-6,11-15H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 303.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 41455697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).