N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide

C12H17N3O2S — CID 63135299

IUPACN-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2sccc2C(N)=O)CCCNC1
InChIInChI=1S/C12H17N3O2S/c1-12(4-2-5-14-7-12)11(17)15-10-8(9(13)16)3-6-18-10/h3,6,14H,2,4-5,7H2,1H3,(H2,13,16)(H,15,17)
InChIKeyRGRRYOMROJMFLR-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.18
Rot. Bonds3

About N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide

N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide (PubChem CID 63135299) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
PubChem CID63135299
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2sccc2C(N)=O)CCCNC1
InChIInChI=1S/C12H17N3O2S/c1-12(4-2-5-14-7-12)11(17)15-10-8(9(13)16)3-6-18-10/h3,6,14H,2,4-5,7H2,1H3,(H2,13,16)(H,15,17)
InChIKeyRGRRYOMROJMFLR-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylthiophen-2-yl)-4-ethylpiperidine-4-carboxamide
CID 55177786
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
CID 115437776
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
3-methyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 66352634
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943678
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
4,5-difluoro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63132812

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide (CID 63135299) is N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2sccc2C(N)=O)CCCNC1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide?
The InChIKey is RGRRYOMROJMFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-12(4-2-5-14-7-12)11(17)15-10-8(9(13)16)3-6-18-10/h3,6,14H,2,4-5,7H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide?
N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63135299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).