1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide

C14H19N3O2S — CID 121153785

IUPAC1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)c3ccsc3)C2)CC1
InChIInChI=1S/C14H19N3O2S/c15-13(18)10-1-4-16(5-2-10)12-7-17(8-12)14(19)11-3-6-20-9-11/h3,6,9-10,12H,1-2,4-5,7-8H2,(H2,15,18)
InChIKeyJDHQLNNKDLSOCC-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.77
Rot. Bonds3

About 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153785) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153785
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)c3ccsc3)C2)CC1
InChIInChI=1S/C14H19N3O2S/c15-13(18)10-1-4-16(5-2-10)12-7-17(8-12)14(19)11-3-6-20-9-11/h3,6,9-10,12H,1-2,4-5,7-8H2,(H2,15,18)
InChIKeyJDHQLNNKDLSOCC-UHFFFAOYSA-N
XLogP0.77
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153961
1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153943
ethyl 4-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42286032
1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154021
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
1-[1-[4-(imidazol-1-ylmethyl)benzoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121154036
9-ethyl-2-(thiophene-3-carbonyl)-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 134078691
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
[(1S,5S)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-thiophen-3-ylmethanone
CID 133134617
3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99878132
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153964

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121153785) is 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)c3ccsc3)C2)CC1.
What is the InChIKey of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is JDHQLNNKDLSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-13(18)10-1-4-16(5-2-10)12-7-17(8-12)14(19)11-3-6-20-9-11/h3,6,9-10,12H,1-2,4-5,7-8H2,(H2,15,18).
What are the key properties of 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).