5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one

C17H25N3O3 — CID 56866375

IUPAC5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1
InChIInChI=1S/C17H25N3O3/c21-15-12-20(17(23)13-5-6-16(22)18-11-13)10-7-14(15)19-8-3-1-2-4-9-19/h5-6,11,14-15,21H,1-4,7-10,12H2,(H,18,22)/t14-,15-/m1/s1
InChIKeyCSGDCXKVOOGVCP-HUUCEWRRSA-N
MW319.40 g/mol
LogP0.83
Rot. Bonds2

About 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one

5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56866375) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56866375
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1
InChIInChI=1S/C17H25N3O3/c21-15-12-20(17(23)13-5-6-16(22)18-11-13)10-7-14(15)19-8-3-1-2-4-9-19/h5-6,11,14-15,21H,1-4,7-10,12H2,(H,18,22)/t14-,15-/m1/s1
InChIKeyCSGDCXKVOOGVCP-HUUCEWRRSA-N
XLogP0.83
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
5-[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradecane-7-carbonyl]-1H-pyridin-2-one
CID 155998389
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
5-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 55064660
5-[(3S)-3-pyridin-4-yloxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124568635
5-(3-pyrrolidin-3-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 167899187
(3-chloro-4-hydroxyphenyl)-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 91837144
2-(6-oxo-1H-pyridine-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862746
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;oxalic acid
CID 53392069
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 56866375) is 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CC[C@@H](N2CCCCCC2)[C@H](O)C1.
What is the InChIKey of 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is CSGDCXKVOOGVCP-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-15-12-20(17(23)13-5-6-16(22)18-11-13)10-7-14(15)19-8-3-1-2-4-9-19/h5-6,11,14-15,21H,1-4,7-10,12H2,(H,18,22)/t14-,15-/m1/s1.
What are the key properties of 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 319.40 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56866375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).