(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C16H23N3O2 — CID 80706708

IUPAC(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H23N3O2/c20-15-11-17-6-3-14(15)16(21)19-9-4-13(5-10-19)12-18-7-1-2-8-18/h3,6,11,13,20H,1-2,4-5,7-10,12H2
InChIKeyPGZRPMAOMCMLEY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds3

About (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 80706708) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID80706708
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H23N3O2/c20-15-11-17-6-3-14(15)16(21)19-9-4-13(5-10-19)12-18-7-1-2-8-18/h3,6,11,13,20H,1-2,4-5,7-10,12H2
InChIKeyPGZRPMAOMCMLEY-UHFFFAOYSA-N
XLogP1.74
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 80706708) is (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccncc1O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is PGZRPMAOMCMLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-11-17-6-3-14(15)16(21)19-9-4-13(5-10-19)12-18-7-1-2-8-18/h3,6,11,13,20H,1-2,4-5,7-10,12H2.
What are the key properties of (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80706708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).