N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C19H23ClN2OS — CID 1343422

IUPACN-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccsc1CN1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2OS/c1-14-8-11-24-18(14)13-22-9-6-15(7-10-22)19(23)21-12-16-4-2-3-5-17(16)20/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3,(H,21,23)
InChIKeyMUBLVRDCZSXMPI-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.24
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 1343422) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID1343422
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccsc1CN1CCC(C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2OS/c1-14-8-11-24-18(14)13-22-9-6-15(7-10-22)19(23)21-12-16-4-2-3-5-17(16)20/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3,(H,21,23)
InChIKeyMUBLVRDCZSXMPI-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 1343422) is N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is Cc1ccsc1CN1CCC(C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is MUBLVRDCZSXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-14-8-11-24-18(14)13-22-9-6-15(7-10-22)19(23)21-12-16-4-2-3-5-17(16)20/h2-5,8,11,15H,6-7,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 362.93 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 1343422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).