1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

C18H21N3O2S — CID 71941024

IUPAC1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccsc3)c2)CC1
InChIInChI=1S/C18H21N3O2S/c19-17(22)14-4-7-21(8-5-14)11-13-2-1-3-16(10-13)20-18(23)15-6-9-24-12-15/h1-3,6,9-10,12,14H,4-5,7-8,11H2,(H2,19,22)(H,20,23)
InChIKeyKQAIZJNFJWQXRZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.70
Rot. Bonds5

About 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide

1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 71941024) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
PubChem CID71941024
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccsc3)c2)CC1
InChIInChI=1S/C18H21N3O2S/c19-17(22)14-4-7-21(8-5-14)11-13-2-1-3-16(10-13)20-18(23)15-6-9-24-12-15/h1-3,6,9-10,12,14H,4-5,7-8,11H2,(H2,19,22)(H,20,23)
InChIKeyKQAIZJNFJWQXRZ-UHFFFAOYSA-N
XLogP2.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
2-(aminomethyl)-N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119853111
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
CID 63254340
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 119853084
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801465
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121
1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 51956887
1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901673

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide (CID 71941024) is 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccsc3)c2)CC1.
What is the InChIKey of 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is KQAIZJNFJWQXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-17(22)14-4-7-21(8-5-14)11-13-2-1-3-16(10-13)20-18(23)15-6-9-24-12-15/h1-3,6,9-10,12,14H,4-5,7-8,11H2,(H2,19,22)(H,20,23).
What are the key properties of 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide?
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71941024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).