N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide

C18H22N4O2S — CID 155874544

IUPACN-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(c1ccsc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1
InChIInChI=1S/C18H22N4O2S/c23-16(15-4-11-25-13-15)21-9-5-18(6-10-21,22-8-1-7-20-22)17(24)19-12-14-2-3-14/h1,4,7-8,11,13-14H,2-3,5-6,9-10,12H2,(H,19,24)
InChIKeyVCVFFWINGNKFIN-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.10
Rot. Bonds5

About N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide

N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide (PubChem CID 155874544) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
PubChem CID155874544
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(c1ccsc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1
InChIInChI=1S/C18H22N4O2S/c23-16(15-4-11-25-13-15)21-9-5-18(6-10-21,22-8-1-7-20-22)17(24)19-12-14-2-3-14/h1,4,7-8,11,13-14H,2-3,5-6,9-10,12H2,(H,19,24)
InChIKeyVCVFFWINGNKFIN-UHFFFAOYSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
N-(cyclopropylmethyl)-1-(2-methylpropanoyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875754
1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875526
2-(cyclopropylmethylamino)-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119738846
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
N-(cyclopropylmethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;formic acid
CID 155879875
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155874211
1-[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-2-thiophen-3-ylethanone
CID 155877859
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide (CID 155874544) is N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide is O=C(c1ccsc1)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is VCVFFWINGNKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-16(15-4-11-25-13-15)21-9-5-18(6-10-21,22-8-1-7-20-22)17(24)19-12-14-2-3-14/h1,4,7-8,11,13-14H,2-3,5-6,9-10,12H2,(H,19,24).
What are the key properties of N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 155874544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).