[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C15H19FN2O2S — CID 110875922

IUPAC[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1cccs1)N1CCCCC1
InChIInChI=1S/C15H19FN2O2S/c16-11-9-12(14(19)17-6-2-1-3-7-17)18(10-11)15(20)13-5-4-8-21-13/h4-5,8,11-12H,1-3,6-7,9-10H2/t11-,12-/m0/s1
InChIKeyKEDUXXCMHBDKFH-RYUDHWBXSA-N
MW310.39 g/mol
LogP2.31
Rot. Bonds2

About [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110875922) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID110875922
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1cccs1)N1CCCCC1
InChIInChI=1S/C15H19FN2O2S/c16-11-9-12(14(19)17-6-2-1-3-7-17)18(10-11)15(20)13-5-4-8-21-13/h4-5,8,11-12H,1-3,6-7,9-10H2/t11-,12-/m0/s1
InChIKeyKEDUXXCMHBDKFH-RYUDHWBXSA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
5-(Morpholinocarbonyl)-1-(2-thienylmethyl)-2-pyrrolidinone
CID 4639573
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-2-yl)-methanone
CID 11631394
N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]thiophene-2-carboxamide
CID 44560255
Cambridge id 7102043
CID 1332056
Thiophene-2-carboxylic acid [1-(4-methyl-piperazine-1-carbonyl)-2-thiophen-2-yl-vinyl]-amide
CID 1724436
N-Cyclohexyl-2-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-acetamide
CID 6603452
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
CID 9551015

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 110875922) is [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C([C@@H]1C[C@H](F)CN1C(=O)c1cccs1)N1CCCCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is KEDUXXCMHBDKFH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c16-11-9-12(14(19)17-6-2-1-3-7-17)18(10-11)15(20)13-5-4-8-21-13/h4-5,8,11-12H,1-3,6-7,9-10H2/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 310.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110875922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).