(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone

C16H19N3OS — CID 95340985

IUPAC(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1sccc1C1CC1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C16H19N3OS/c20-16(15-14(5-9-21-15)12-3-4-12)18-7-1-2-13(10-18)19-8-6-17-11-19/h5-6,8-9,11-13H,1-4,7,10H2/t13-/m0/s1
InChIKeyUAHGJUBCZAHKKL-ZDUSSCGKSA-N
MW301.41 g/mol
LogP3.30
Rot. Bonds3

About (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone

(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95340985) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
PubChem CID95340985
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1sccc1C1CC1)N1CCC[C@H](n2ccnc2)C1
InChIInChI=1S/C16H19N3OS/c20-16(15-14(5-9-21-15)12-3-4-12)18-7-1-2-13(10-18)19-8-6-17-11-19/h5-6,8-9,11-13H,1-4,7,10H2/t13-/m0/s1
InChIKeyUAHGJUBCZAHKKL-ZDUSSCGKSA-N
XLogP3.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
CID 95312825
1-(3-cyclopropylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 119167865
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312877
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95314051
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95350987
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
(3R)-1-(3-cyclopropylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148455
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone (CID 95340985) is (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone is O=C(c1sccc1C1CC1)N1CCC[C@H](n2ccnc2)C1.
What is the InChIKey of (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is UAHGJUBCZAHKKL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(15-14(5-9-21-15)12-3-4-12)18-7-1-2-13(10-18)19-8-6-17-11-19/h5-6,8-9,11-13H,1-4,7,10H2/t13-/m0/s1.
What are the key properties of (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
(3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 301.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylthiophen-2-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95340985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).