(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

C15H23N3O2 — CID 63852069

IUPAC(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)NCC1CCCN(C(=O)c2cncc(O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-7-12-4-3-5-18(10-12)15(20)13-6-14(19)9-16-8-13/h6,8-9,11-12,17,19H,3-5,7,10H2,1-2H3
InChIKeySVAJGYFUMHKNKD-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.64
Rot. Bonds4

About (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (PubChem CID 63852069) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
PubChem CID63852069
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)NCC1CCCN(C(=O)c2cncc(O)c2)C1
InChIInChI=1S/C15H23N3O2/c1-11(2)17-7-12-4-3-5-18(10-12)15(20)13-6-14(19)9-16-8-13/h6,8-9,11-12,17,19H,3-5,7,10H2,1-2H3
InChIKeySVAJGYFUMHKNKD-UHFFFAOYSA-N
XLogP1.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-hydroxy-3-pyridinyl)methanone
CID 63860883
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(3-chloro-4-iodophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 103805724
(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557
(5-nitrothiophen-3-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63240649
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 81478360
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone (CID 63852069) is (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is CC(C)NCC1CCCN(C(=O)c2cncc(O)c2)C1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is SVAJGYFUMHKNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)17-7-12-4-3-5-18(10-12)15(20)13-6-14(19)9-16-8-13/h6,8-9,11-12,17,19H,3-5,7,10H2,1-2H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone?
(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 63852069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).