N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide

C21H28N2OS — CID 24871627

IUPACN-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C21H28N2OS/c24-21(18-15-25-20-11-5-3-9-17(18)20)22-19-10-4-2-8-16(19)14-23-12-6-1-7-13-23/h3,5,9,11,15-16,19H,1-2,4,6-8,10,12-14H2,(H,22,24)/t16-,19+/m0/s1
InChIKeyBXAHTOXDQBABSX-QFBILLFUSA-N
MW356.53 g/mol
LogP4.68
Rot. Bonds4

About N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide

N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide (PubChem CID 24871627) has the molecular formula C21H28N2OS and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
PubChem CID24871627
Molecular FormulaC21H28N2OS
Molecular Weight356.53 g/mol
Exact Mass356.19
IUPAC NameN-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1csc2ccccc12
InChIInChI=1S/C21H28N2OS/c24-21(18-15-25-20-11-5-3-9-17(18)20)22-19-10-4-2-8-16(19)14-23-12-6-1-7-13-23/h3,5,9,11,15-16,19H,1-2,4,6-8,10,12-14H2,(H,22,24)/t16-,19+/m0/s1
InChIKeyBXAHTOXDQBABSX-QFBILLFUSA-N
XLogP4.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-benzothiophene-3-carboxamide
CID 122158928
1-(1-benzothiophen-3-yl)-4-piperidin-1-ylbutan-1-one
CID 3046060
cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
N-[2-(piperidin-1-ylmethyl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 74340203
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340181

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide (CID 24871627) is N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1csc2ccccc12.
What is the InChIKey of N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide?
The InChIKey is BXAHTOXDQBABSX-QFBILLFUSA-N. The full InChI is InChI=1S/C21H28N2OS/c24-21(18-15-25-20-11-5-3-9-17(18)20)22-19-10-4-2-8-16(19)14-23-12-6-1-7-13-23/h3,5,9,11,15-16,19H,1-2,4,6-8,10,12-14H2,(H,22,24)/t16-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide?
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide has a molecular weight of 356.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 24871627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).