(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

C29H35N5O2 — CID 23961673

IUPAC(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESNCCNC(=O)[C@H]1CC(N(CCc2ccccc2)Cc2ccccc2)CCN1C(=O)c1cccnc1
InChIInChI=1S/C29H35N5O2/c30-15-17-32-28(35)27-20-26(14-19-34(27)29(36)25-12-7-16-31-21-25)33(22-24-10-5-2-6-11-24)18-13-23-8-3-1-4-9-23/h1-12,16,21,26-27H,13-15,17-20,22,30H2,(H,32,35)/t26?,27-/m1/s1
InChIKeyRWJYTJQQGVMVQO-SSYAZFEXSA-N
MW485.63 g/mol
LogP2.87
Rot. Bonds10

About (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 23961673) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID23961673
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
SMILESNCCNC(=O)[C@H]1CC(N(CCc2ccccc2)Cc2ccccc2)CCN1C(=O)c1cccnc1
InChIInChI=1S/C29H35N5O2/c30-15-17-32-28(35)27-20-26(14-19-34(27)29(36)25-12-7-16-31-21-25)33(22-24-10-5-2-6-11-24)18-13-23-8-3-1-4-9-23/h1-12,16,21,26-27H,13-15,17-20,22,30H2,(H,32,35)/t26?,27-/m1/s1
InChIKeyRWJYTJQQGVMVQO-SSYAZFEXSA-N
XLogP2.87
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-aminoethyl)-4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23819818
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23791087
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23908203
(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide
CID 23821442
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23990374
(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23819346
N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 23879071
(2R)-N-(2-aminoethyl)-4-[(4-cyanophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23792648
N-(2-aminoethyl)-4-[(4-nitrophenyl)methyl-(2-phenylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23764765
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
(2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-phenylethyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23761837
[4-[benzyl(cyclopropyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23990632

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide (CID 23961673) is (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is NCCNC(=O)[C@H]1CC(N(CCc2ccccc2)Cc2ccccc2)CCN1C(=O)c1cccnc1.
What is the InChIKey of (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is RWJYTJQQGVMVQO-SSYAZFEXSA-N. The full InChI is InChI=1S/C29H35N5O2/c30-15-17-32-28(35)27-20-26(14-19-34(27)29(36)25-12-7-16-31-21-25)33(22-24-10-5-2-6-11-24)18-13-23-8-3-1-4-9-23/h1-12,16,21,26-27H,13-15,17-20,22,30H2,(H,32,35)/t26?,27-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide?
(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 23961673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).