N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C23H28N2O2S — CID 18209373

IUPACN-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(CCC2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-16-2-4-17(5-3-16)6-7-18-12-14-25(15-13-18)23(27)20-10-11-21(28-20)24-22(26)19-8-9-19/h2-5,10-11,18-19H,6-9,12-15H2,1H3,(H,24,26)
InChIKeyLXOOPHYLNOIYJZ-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.89
Rot. Bonds6

About N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 18209373) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID18209373
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(CCC2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1
InChIInChI=1S/C23H28N2O2S/c1-16-2-4-17(5-3-16)6-7-18-12-14-25(15-13-18)23(27)20-10-11-21(28-20)24-22(26)19-8-9-19/h2-5,10-11,18-19H,6-9,12-15H2,1H3,(H,24,26)
InChIKeyLXOOPHYLNOIYJZ-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 24567090
2,2,2-trifluoro-1-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 67315412
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 87026330
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
(3,5-dinitrophenyl)-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 36608433
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
[4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]phenyl]methylurea
CID 25492389
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
[(1R,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928091
[(1S,2S)-2-methylcyclopropyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 51928092
2-bromo-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 107903147

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 18209373) is N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is Cc1ccc(CCC2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1.
What is the InChIKey of N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is LXOOPHYLNOIYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-16-2-4-17(5-3-16)6-7-18-12-14-25(15-13-18)23(27)20-10-11-21(28-20)24-22(26)19-8-9-19/h2-5,10-11,18-19H,6-9,12-15H2,1H3,(H,24,26).
What are the key properties of N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 396.56 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 18209373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).