N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide

C21H29N3OS — CID 45271588

IUPACN-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1c(CN2CCN(C(=O)NC3CCCCC3)CC2)sc2ccccc12
InChIInChI=1S/C21H29N3OS/c1-16-18-9-5-6-10-19(18)26-20(16)15-23-11-13-24(14-12-23)21(25)22-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-15H2,1H3,(H,22,25)
InChIKeyJZGBDOLELJSRIE-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.37
Rot. Bonds3

About N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide

N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 45271588) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide
PubChem CID45271588
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1c(CN2CCN(C(=O)NC3CCCCC3)CC2)sc2ccccc12
InChIInChI=1S/C21H29N3OS/c1-16-18-9-5-6-10-19(18)26-20(16)15-23-11-13-24(14-12-23)21(25)22-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-15H2,1H3,(H,22,25)
InChIKeyJZGBDOLELJSRIE-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide (CID 45271588) is N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide is Cc1c(CN2CCN(C(=O)NC3CCCCC3)CC2)sc2ccccc12.
What is the InChIKey of N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is JZGBDOLELJSRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-16-18-9-5-6-10-19(18)26-20(16)15-23-11-13-24(14-12-23)21(25)22-17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-15H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 45271588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).