N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C21H32N4O2 — CID 120884310

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C21H32N4O2/c22-11-16-23(15-10-18-7-2-1-3-8-18)20(26)19-9-6-14-25(17-19)21(27)24-12-4-5-13-24/h1-3,7-8,19H,4-6,9-17,22H2
InChIKeySGGASBPATAQXLC-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.94
Rot. Bonds6

About N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 120884310) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID120884310
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C21H32N4O2/c22-11-16-23(15-10-18-7-2-1-3-8-18)20(26)19-9-6-14-25(17-19)21(27)24-12-4-5-13-24/h1-3,7-8,19H,4-6,9-17,22H2
InChIKeySGGASBPATAQXLC-UHFFFAOYSA-N
XLogP1.94
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-aminoethyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 120885796
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)piperidine-4-carboxamide;dihydrochloride
CID 120885911
4-N-(2-aminoethyl)-1-N,1-N-dimethyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 120885596
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide;dihydrochloride
CID 120884651
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 120884310) is N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is NCCN(CCc1ccccc1)C(=O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is SGGASBPATAQXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c22-11-16-23(15-10-18-7-2-1-3-8-18)20(26)19-9-6-14-25(17-19)21(27)24-12-4-5-13-24/h1-3,7-8,19H,4-6,9-17,22H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 120884310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).