(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

C19H23N3O2S — CID 45179140

IUPAC(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2S/c23-18(16-7-6-15(25-16)14-4-3-11-20-14)22-12-8-19(24,9-13-22)17-5-1-2-10-21-17/h1-2,5-7,10,14,20,24H,3-4,8-9,11-13H2
InChIKeyVOMGCYQKMPTLSO-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.69
Rot. Bonds3

About (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (PubChem CID 45179140) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
PubChem CID45179140
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O2S/c23-18(16-7-6-15(25-16)14-4-3-11-20-14)22-12-8-19(24,9-13-22)17-5-1-2-10-21-17/h1-2,5-7,10,14,20,24H,3-4,8-9,11-13H2
InChIKeyVOMGCYQKMPTLSO-UHFFFAOYSA-N
XLogP2.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70713179
N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 45204442
N-[1-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 45223177
[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70757931
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-[(2S)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29153043
N-(2-chloro-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31223583
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261
methyl 5-pyrrolidin-2-ylthiophene-2-carboxylate
CID 130001149
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45178110
5-[(2S)-pyrrolidin-2-yl]-N-(1,2,4-triazin-3-yl)thiophene-2-carboxamide
CID 31017599

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (CID 45179140) is (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(C2CCCN2)s1)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The InChIKey is VOMGCYQKMPTLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(16-7-6-15(25-16)14-4-3-11-20-14)22-12-8-19(24,9-13-22)17-5-1-2-10-21-17/h1-2,5-7,10,14,20,24H,3-4,8-9,11-13H2.
What are the key properties of (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone has a molecular weight of 357.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 45179140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).