(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide

C25H40N4O2 — CID 23795098

IUPAC(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(Cc2ccccc2)CC(C)C)C[C@@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C25H40N4O2/c1-18(2)16-28(17-20-7-5-4-6-8-20)23-13-14-29(19(3)30)24(15-23)25(31)27-22-11-9-21(26)10-12-22/h4-8,18,21-24H,9-17,26H2,1-3H3,(H,27,31)/t21?,22?,23?,24-/m1/s1
InChIKeyZYTNEPGPFUZWOO-YRTVTSRJSA-N
MW428.62 g/mol
LogP2.91
Rot. Bonds7

About (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide

(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide (PubChem CID 23795098) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
PubChem CID23795098
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
SMILESCC(=O)N1CCC(N(Cc2ccccc2)CC(C)C)C[C@@H]1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C25H40N4O2/c1-18(2)16-28(17-20-7-5-4-6-8-20)23-13-14-29(19(3)30)24(15-23)25(31)27-22-11-9-21(26)10-12-22/h4-8,18,21-24H,9-17,26H2,1-3H3,(H,27,31)/t21?,22?,23?,24-/m1/s1
InChIKeyZYTNEPGPFUZWOO-YRTVTSRJSA-N
XLogP2.91
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide (CID 23795098) is (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide is CC(=O)N1CCC(N(Cc2ccccc2)CC(C)C)C[C@@H]1C(=O)NC1CCC(N)CC1.
What is the InChIKey of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide?
The InChIKey is ZYTNEPGPFUZWOO-YRTVTSRJSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-18(2)16-28(17-20-7-5-4-6-8-20)23-13-14-29(19(3)30)24(15-23)25(31)27-22-11-9-21(26)10-12-22/h4-8,18,21-24H,9-17,26H2,1-3H3,(H,27,31)/t21?,22?,23?,24-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide?
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide has a molecular weight of 428.62 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide is sourced from PubChem (CID 23795098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).