(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide

C26H36N4O2 — CID 23821442

IUPAC(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(CCc2ccccc2)Cc2ccccc2C)C[C@@H]1C(=O)NCCN
InChIInChI=1S/C26H36N4O2/c1-20-8-6-7-11-23(20)19-29(16-12-22-9-4-3-5-10-22)24-13-17-30(21(2)31)25(18-24)26(32)28-15-14-27/h3-11,24-25H,12-19,27H2,1-2H3,(H,28,32)/t24?,25-/m1/s1
InChIKeyJMQVTYJPHWKITQ-WUBHUQEYSA-N
MW436.60 g/mol
LogP2.49
Rot. Bonds9

About (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide

(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide (PubChem CID 23821442) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide
PubChem CID23821442
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(CCc2ccccc2)Cc2ccccc2C)C[C@@H]1C(=O)NCCN
InChIInChI=1S/C26H36N4O2/c1-20-8-6-7-11-23(20)19-29(16-12-22-9-4-3-5-10-22)24-13-17-30(21(2)31)25(18-24)26(32)28-15-14-27/h3-11,24-25H,12-19,27H2,1-2H3,(H,28,32)/t24?,25-/m1/s1
InChIKeyJMQVTYJPHWKITQ-WUBHUQEYSA-N
XLogP2.49
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23940878
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23908203
(2R)-N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 23961673
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23990374
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]pyrrolidine-2-carboxamide
CID 70790972
(2R)-N-(2-aminoethyl)-4-[benzyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23827261
N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]pyrrolidine-2-carboxamide
CID 23933316
N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(2-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23738632
(2R)-N-(2-aminoethyl)-4-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
CID 23738120
N-(2-aminoethyl)-4-[2-phenylethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23967393
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide (CID 23821442) is (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide is CC(=O)N1CCC(N(CCc2ccccc2)Cc2ccccc2C)C[C@@H]1C(=O)NCCN.
What is the InChIKey of (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide?
The InChIKey is JMQVTYJPHWKITQ-WUBHUQEYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-20-8-6-7-11-23(20)19-29(16-12-22-9-4-3-5-10-22)24-13-17-30(21(2)31)25(18-24)26(32)28-15-14-27/h3-11,24-25H,12-19,27H2,1-2H3,(H,28,32)/t24?,25-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide?
(2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-(2-aminoethyl)-4-[(2-methylphenyl)methyl-(2-phenylethyl)amino]piperidine-2-carboxamide is sourced from PubChem (CID 23821442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).