N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

C24H31N3O2 — CID 120648552

IUPACN-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(CCCN)Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-19-10-12-21(13-11-19)23(28)27-15-5-9-22(18-27)24(29)26(16-6-14-25)17-20-7-3-2-4-8-20/h2-4,7-8,10-13,22H,5-6,9,14-18,25H2,1H3
InChIKeyDPQOTQHVNRPHJV-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.22
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 120648552) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID120648552
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N(CCCN)Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H31N3O2/c1-19-10-12-21(13-11-19)23(28)27-15-5-9-22(18-27)24(29)26(16-6-14-25)17-20-7-3-2-4-8-20/h2-4,7-8,10-13,22H,5-6,9,14-18,25H2,1H3
InChIKeyDPQOTQHVNRPHJV-UHFFFAOYSA-N
XLogP3.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55436225
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 120648552) is N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)N(CCCN)Cc3ccccc3)C2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is DPQOTQHVNRPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19-10-12-21(13-11-19)23(28)27-15-5-9-22(18-27)24(29)26(16-6-14-25)17-20-7-3-2-4-8-20/h2-4,7-8,10-13,22H,5-6,9,14-18,25H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 120648552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).