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

C23H31N3O — CID 17422605

IUPACN-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CCCNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-25(22-9-4-2-5-10-22)16-8-15-24-23(27)21-13-11-20(12-14-21)19-26-17-6-3-7-18-26/h2,4-5,9-14H,3,6-8,15-19H2,1H3,(H,24,27)
InChIKeyQMSANIUVVPBUDH-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.93
Rot. Bonds8

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

N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 17422605) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID17422605
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CCCNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-25(22-9-4-2-5-10-22)16-8-15-24-23(27)21-13-11-20(12-14-21)19-26-17-6-3-7-18-26/h2,4-5,9-14H,3,6-8,15-19H2,1H3,(H,24,27)
InChIKeyQMSANIUVVPBUDH-UHFFFAOYSA-N
XLogP3.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.93
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-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-(azepan-1-ylmethyl)-N-[3-(2-oxo-1-pyridinyl)propyl]benzamide
CID 90652688
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010
1-[3-(N-methylanilino)propyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100742853
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-[3-(N-methylanilino)propyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17435314

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide (CID 17422605) is N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide is CN(CCCNC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is QMSANIUVVPBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-25(22-9-4-2-5-10-22)16-8-15-24-23(27)21-13-11-20(12-14-21)19-26-17-6-3-7-18-26/h2,4-5,9-14H,3,6-8,15-19H2,1H3,(H,24,27).
What are the key properties of N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 365.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 17422605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).