(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone

C19H24N4O3S — CID 31054211

IUPAC(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C19H24N4O3S/c1-21-12-8-20-17(21)19(26)23-9-2-3-14(23)15-4-5-16(27-15)18(25)22-10-6-13(24)7-11-22/h4-5,8,12-14,24H,2-3,6-7,9-11H2,1H3/t14-/m1/s1
InChIKeyHYVBAWKDLPEXMA-CQSZACIVSA-N
MW388.49 g/mol
LogP2.06
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone

(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone (PubChem CID 31054211) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
PubChem CID31054211
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCC(O)CC2)s1
InChIInChI=1S/C19H24N4O3S/c1-21-12-8-20-17(21)19(26)23-9-2-3-14(23)15-4-5-16(27-15)18(25)22-10-6-13(24)7-11-22/h4-5,8,12-14,24H,2-3,6-7,9-11H2,1H3/t14-/m1/s1
InChIKeyHYVBAWKDLPEXMA-CQSZACIVSA-N
XLogP2.06
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hydroxypiperidin-1-yl)-[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone
CID 45218829
[5-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-(1,4-oxazepan-4-yl)methanone
CID 45233811
[5-[1-(5-ethyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 45213659
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155054
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155055
(6-amino-3-pyridinyl)-[2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]methanone
CID 45214303
(E)-3-(1-methylpyrazol-4-yl)-1-[(2S)-2-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 29150250
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[5-(1-methylpyrrolidin-2-yl)thiophen-2-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 154891880
1-[(2S)-2-[5-(morpholine-4-carbonyl)thiophen-2-yl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 31125619
5-[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 45237884
5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 45231508

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone (CID 31054211) is (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone is Cn1ccnc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCC(O)CC2)s1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone?
The InChIKey is HYVBAWKDLPEXMA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-21-12-8-20-17(21)19(26)23-9-2-3-14(23)15-4-5-16(27-15)18(25)22-10-6-13(24)7-11-22/h4-5,8,12-14,24H,2-3,6-7,9-11H2,1H3/t14-/m1/s1.
What are the key properties of (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone?
(4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone has a molecular weight of 388.49 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[5-[(2R)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 31054211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).