3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride

C23H31ClN4O2 — CID 120648055

IUPAC3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H30N4O2.ClH/c24-14-8-16-26(17-19-9-3-1-4-10-19)22(28)20-11-7-15-27(18-20)23(29)25-21-12-5-2-6-13-21;/h1-6,9-10,12-13,20H,7-8,11,14-18,24H2,(H,25,29);1H
InChIKeyXJPVWSKBKLKWNL-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.73
Rot. Bonds7

About 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride

3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 120648055) has the molecular formula C23H31ClN4O2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
PubChem CID120648055
Molecular FormulaC23H31ClN4O2
Molecular Weight430.98 g/mol
Exact Mass430.21
IUPAC Name3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H30N4O2.ClH/c24-14-8-16-26(17-19-9-3-1-4-10-19)22(28)20-11-7-15-27(18-20)23(29)25-21-12-5-2-6-13-21;/h1-6,9-10,12-13,20H,7-8,11,14-18,24H2,(H,25,29);1H
InChIKeyXJPVWSKBKLKWNL-UHFFFAOYSA-N
XLogP3.73
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.73
H-Bond Donors ≤ 52
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
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 41166850
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride (CID 120648055) is 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is XJPVWSKBKLKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.ClH/c24-14-8-16-26(17-19-9-3-1-4-10-19)22(28)20-11-7-15-27(18-20)23(29)25-21-12-5-2-6-13-21;/h1-6,9-10,12-13,20H,7-8,11,14-18,24H2,(H,25,29);1H.
What are the key properties of 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride?
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120648055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).