N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

C19H25ClN2O3S — CID 91906232

IUPACN-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
SMILESO=C(c1ccc(Cl)s1)N1CCC(N(C(=O)C2CC2)C2CCOCC2)CC1
InChIInChI=1S/C19H25ClN2O3S/c20-17-4-3-16(26-17)19(24)21-9-5-14(6-10-21)22(18(23)13-1-2-13)15-7-11-25-12-8-15/h3-4,13-15H,1-2,5-12H2
InChIKeyWFVLLNYYUDPTQQ-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.42
Rot. Bonds4

About N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide

N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide (PubChem CID 91906232) has the molecular formula C19H25ClN2O3S and a molecular weight of 396.94 g/mol. Its IUPAC name is N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
PubChem CID91906232
Molecular FormulaC19H25ClN2O3S
Molecular Weight396.94 g/mol
Exact Mass396.13
IUPAC NameN-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide
SMILESO=C(c1ccc(Cl)s1)N1CCC(N(C(=O)C2CC2)C2CCOCC2)CC1
InChIInChI=1S/C19H25ClN2O3S/c20-17-4-3-16(26-17)19(24)21-9-5-14(6-10-21)22(18(23)13-1-2-13)15-7-11-25-12-8-15/h3-4,13-15H,1-2,5-12H2
InChIKeyWFVLLNYYUDPTQQ-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide 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-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide (CID 91906232) is N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide is O=C(c1ccc(Cl)s1)N1CCC(N(C(=O)C2CC2)C2CCOCC2)CC1.
What is the InChIKey of N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
The InChIKey is WFVLLNYYUDPTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3S/c20-17-4-3-16(26-17)19(24)21-9-5-14(6-10-21)22(18(23)13-1-2-13)15-7-11-25-12-8-15/h3-4,13-15H,1-2,5-12H2.
What are the key properties of N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide?
N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide has a molecular weight of 396.94 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-N-(oxan-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 91906232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).