(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide

C23H38N4O3S — CID 23734948

IUPAC(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
SMILESCOCCN(Cc1ccc(C)s1)C1CCN(C(C)=O)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C23H38N4O3S/c1-16-4-9-21(31-16)15-26(12-13-30-3)20-10-11-27(17(2)28)22(14-20)23(29)25-19-7-5-18(24)6-8-19/h4,9,18-20,22H,5-8,10-15,24H2,1-3H3,(H,25,29)/t18?,19?,20?,22-/m1/s1
InChIKeyHUTCBRGLYGQZKD-YMEUWNJXSA-N
MW450.65 g/mol
LogP2.27
Rot. Bonds8

About (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide

(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide (PubChem CID 23734948) has the molecular formula C23H38N4O3S and a molecular weight of 450.65 g/mol. Its IUPAC name is (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
PubChem CID23734948
Molecular FormulaC23H38N4O3S
Molecular Weight450.65 g/mol
Exact Mass450.27
IUPAC Name(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
SMILESCOCCN(Cc1ccc(C)s1)C1CCN(C(C)=O)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C23H38N4O3S/c1-16-4-9-21(31-16)15-26(12-13-30-3)20-10-11-27(17(2)28)22(14-20)23(29)25-19-7-5-18(24)6-8-19/h4,9,18-20,22H,5-8,10-15,24H2,1-3H3,(H,25,29)/t18?,19?,20?,22-/m1/s1
InChIKeyHUTCBRGLYGQZKD-YMEUWNJXSA-N
XLogP2.27
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]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)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide (CID 23734948) is (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide is COCCN(Cc1ccc(C)s1)C1CCN(C(C)=O)[C@@H](C(=O)NC2CCC(N)CC2)C1.
What is the InChIKey of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide?
The InChIKey is HUTCBRGLYGQZKD-YMEUWNJXSA-N. The full InChI is InChI=1S/C23H38N4O3S/c1-16-4-9-21(31-16)15-26(12-13-30-3)20-10-11-27(17(2)28)22(14-20)23(29)25-19-7-5-18(24)6-8-19/h4,9,18-20,22H,5-8,10-15,24H2,1-3H3,(H,25,29)/t18?,19?,20?,22-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide?
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide has a molecular weight of 450.65 g/mol, XLogP of 2.27, 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-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide is sourced from PubChem (CID 23734948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).