(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide

C28H45N5O3 — CID 23795951

IUPAC(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(CCN2CCOCC2)Cc2ccc(C)cc2)C[C@@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C28H45N5O3/c1-21-3-5-23(6-4-21)20-32(14-13-31-15-17-36-18-16-31)26-11-12-33(22(2)34)27(19-26)28(35)30-25-9-7-24(29)8-10-25/h3-6,24-27H,7-20,29H2,1-2H3,(H,30,35)/t24?,25?,26?,27-/m1/s1
InChIKeyYAIPULIWIDTPIH-VZWKQKHMSA-N
MW499.70 g/mol
LogP1.89
Rot. Bonds8

About (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide

(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide (PubChem CID 23795951) has the molecular formula C28H45N5O3 and a molecular weight of 499.70 g/mol. Its IUPAC name is (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
PubChem CID23795951
Molecular FormulaC28H45N5O3
Molecular Weight499.70 g/mol
Exact Mass499.35
IUPAC Name(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(CCN2CCOCC2)Cc2ccc(C)cc2)C[C@@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C28H45N5O3/c1-21-3-5-23(6-4-21)20-32(14-13-31-15-17-36-18-16-31)26-11-12-33(22(2)34)27(19-26)28(35)30-25-9-7-24(29)8-10-25/h3-6,24-27H,7-20,29H2,1-2H3,(H,30,35)/t24?,25?,26?,27-/m1/s1
InChIKeyYAIPULIWIDTPIH-VZWKQKHMSA-N
XLogP1.89
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.70
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]piperidine-2-carboxamide
CID 23933944
N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23851007
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23961817
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
CID 23734948
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23989110
(2R)-N-(4-aminocyclohexyl)-4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23993711
(2R)-N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23940524
1-acetyl-N-(2-aminoethyl)-4-[2-morpholin-4-ylethyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide
CID 23908602
N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23762259
N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23819307
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23793454

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide (CID 23795951) is (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide is CC(=O)N1CCC(N(CCN2CCOCC2)Cc2ccc(C)cc2)C[C@@H]1C(=O)NC1CCC(N)CC1.
What is the InChIKey of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
The InChIKey is YAIPULIWIDTPIH-VZWKQKHMSA-N. The full InChI is InChI=1S/C28H45N5O3/c1-21-3-5-23(6-4-21)20-32(14-13-31-15-17-36-18-16-31)26-11-12-33(22(2)34)27(19-26)28(35)30-25-9-7-24(29)8-10-25/h3-6,24-27H,7-20,29H2,1-2H3,(H,30,35)/t24?,25?,26?,27-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide?
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide has a molecular weight of 499.70 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide is sourced from PubChem (CID 23795951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).