N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide

C20H33N3O3 — CID 97196259

IUPACN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc([C@H](CNC(=O)C2CCN(C(C)C)CC2)N2CCOCC2)o1
InChIInChI=1S/C20H33N3O3/c1-15(2)22-8-6-17(7-9-22)20(24)21-14-18(19-5-4-16(3)26-19)23-10-12-25-13-11-23/h4-5,15,17-18H,6-14H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyUFDDJBPJDVRPLC-SFHVURJKSA-N
MW363.50 g/mol
LogP2.20
Rot. Bonds6

About N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 97196259) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID97196259
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccc([C@H](CNC(=O)C2CCN(C(C)C)CC2)N2CCOCC2)o1
InChIInChI=1S/C20H33N3O3/c1-15(2)22-8-6-17(7-9-22)20(24)21-14-18(19-5-4-16(3)26-19)23-10-12-25-13-11-23/h4-5,15,17-18H,6-14H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyUFDDJBPJDVRPLC-SFHVURJKSA-N
XLogP2.20
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-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 N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 97196259) is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1ccc([C@H](CNC(=O)C2CCN(C(C)C)CC2)N2CCOCC2)o1.
What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is UFDDJBPJDVRPLC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-15(2)22-8-6-17(7-9-22)20(24)21-14-18(19-5-4-16(3)26-19)23-10-12-25-13-11-23/h4-5,15,17-18H,6-14H2,1-3H3,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 97196259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).