N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide

C22H26N2O3S — CID 78856408

IUPACN-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3S/c1-14-13-18(23-21(26)17-7-8-17)28-20(14)22(27)24-11-9-16(10-12-24)19(25)15-5-3-2-4-6-15/h2-6,13,16-17,19,25H,7-12H2,1H3,(H,23,26)
InChIKeyKMUWVWJCLYLZBX-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.99
Rot. Bonds5

About N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide

N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide (PubChem CID 78856408) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
PubChem CID78856408
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3S/c1-14-13-18(23-21(26)17-7-8-17)28-20(14)22(27)24-11-9-16(10-12-24)19(25)15-5-3-2-4-6-15/h2-6,13,16-17,19,25H,7-12H2,1H3,(H,23,26)
InChIKeyKMUWVWJCLYLZBX-UHFFFAOYSA-N
XLogP3.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
N-[5-(1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 75373415
5-(cyclopropanecarbonylamino)-N-(2-methoxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 86980110
N-[4-methyl-5-[4-[2-(methylamino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 78840221
N-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 26052004
N-[4-methyl-5-[4-(4-nitrophenyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 16961757
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
(3-amino-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110909517
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide (CID 78856408) is N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is KMUWVWJCLYLZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-14-13-18(23-21(26)17-7-8-17)28-20(14)22(27)24-11-9-16(10-12-24)19(25)15-5-3-2-4-6-15/h2-6,13,16-17,19,25H,7-12H2,1H3,(H,23,26).
What are the key properties of N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide?
N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-4-methylthiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 78856408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).