N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride

C21H33ClN4O2 — CID 120649649

IUPACN-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C21H32N4O2.ClH/c22-11-7-15-24(16-18-8-2-1-3-9-18)20(26)19-10-6-14-25(17-19)21(27)23-12-4-5-13-23;/h1-3,8-9,19H,4-7,10-17,22H2;1H
InChIKeyNVNNJWYJMVNXIR-UHFFFAOYSA-N
MW408.97 g/mol
LogP2.71
Rot. Bonds6

About N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120649649) has the molecular formula C21H33ClN4O2 and a molecular weight of 408.97 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120649649
Molecular FormulaC21H33ClN4O2
Molecular Weight408.97 g/mol
Exact Mass408.23
IUPAC NameN-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C21H32N4O2.ClH/c22-11-7-15-24(16-18-8-2-1-3-9-18)20(26)19-10-6-14-25(17-19)21(27)23-12-4-5-13-23;/h1-3,8-9,19H,4-7,10-17,22H2;1H
InChIKeyNVNNJWYJMVNXIR-UHFFFAOYSA-N
XLogP2.71
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120884310
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
CID 120649215
3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 119196915

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 120649649) is N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is NVNNJWYJMVNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.ClH/c22-11-7-15-24(16-18-8-2-1-3-9-18)20(26)19-10-6-14-25(17-19)21(27)23-12-4-5-13-23;/h1-3,8-9,19H,4-7,10-17,22H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 2.71, 6 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-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).