N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide

C20H25ClN2OS — CID 46942702

IUPACN-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)CC1
InChIInChI=1S/C20H25ClN2OS/c1-2-10-23-11-7-16(8-12-23)20(24)22-19(17-9-13-25-14-17)15-3-5-18(21)6-4-15/h3-6,9,13-14,16,19H,2,7-8,10-12H2,1H3,(H,22,24)
InChIKeySZEHAIXUFQFCFB-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.73
Rot. Bonds6

About N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide

N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide (PubChem CID 46942702) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide
PubChem CID46942702
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC NameN-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)CC1
InChIInChI=1S/C20H25ClN2OS/c1-2-10-23-11-7-16(8-12-23)20(24)22-19(17-9-13-25-14-17)15-3-5-18(21)6-4-15/h3-6,9,13-14,16,19H,2,7-8,10-12H2,1H3,(H,22,24)
InChIKeySZEHAIXUFQFCFB-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide (CID 46942702) is N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide is CCCN1CCC(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide?
The InChIKey is SZEHAIXUFQFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OS/c1-2-10-23-11-7-16(8-12-23)20(24)22-19(17-9-13-25-14-17)15-3-5-18(21)6-4-15/h3-6,9,13-14,16,19H,2,7-8,10-12H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide has a molecular weight of 376.95 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 46942702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).