(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide

C26H40N4O4 — CID 23762319

IUPAC(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
SMILESCOCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C2CC2)C[C@@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C26H40N4O4/c1-33-17-25(31)29-14-13-22(15-24(29)26(32)28-20-7-5-19(27)6-8-20)30(21-9-10-21)16-18-3-11-23(34-2)12-4-18/h3-4,11-12,19-22,24H,5-10,13-17,27H2,1-2H3,(H,28,32)/t19?,20?,22?,24-/m1/s1
InChIKeyYZHFMXWBVFZQRX-OFHIBPAFSA-N
MW472.63 g/mol
LogP2.05
Rot. Bonds9

About (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide

(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide (PubChem CID 23762319) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
PubChem CID23762319
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC Name(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide
SMILESCOCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C2CC2)C[C@@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C26H40N4O4/c1-33-17-25(31)29-14-13-22(15-24(29)26(32)28-20-7-5-19(27)6-8-20)30(21-9-10-21)16-18-3-11-23(34-2)12-4-18/h3-4,11-12,19-22,24H,5-10,13-17,27H2,1-2H3,(H,28,32)/t19?,20?,22?,24-/m1/s1
InChIKeyYZHFMXWBVFZQRX-OFHIBPAFSA-N
XLogP2.05
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide (CID 23762319) is (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide is COCC(=O)N1CCC(N(Cc2ccc(OC)cc2)C2CC2)C[C@@H]1C(=O)NC1CCC(N)CC1.
What is the InChIKey of (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
The InChIKey is YZHFMXWBVFZQRX-OFHIBPAFSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-33-17-25(31)29-14-13-22(15-24(29)26(32)28-20-7-5-19(27)6-8-20)30(21-9-10-21)16-18-3-11-23(34-2)12-4-18/h3-4,11-12,19-22,24H,5-10,13-17,27H2,1-2H3,(H,28,32)/t19?,20?,22?,24-/m1/s1.
What are the key properties of (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide?
(2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide has a molecular weight of 472.63 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(2-methoxyacetyl)piperidine-2-carboxamide is sourced from PubChem (CID 23762319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).