5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one

C20H26ClN3O2 — CID 143375564

IUPAC5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one
SMILESO=c1ccc(NCCC(O)N2CCC(Cc3ccc(Cl)cc3)CC2)c[nH]1
InChIInChI=1S/C20H26ClN3O2/c21-17-3-1-15(2-4-17)13-16-8-11-24(12-9-16)20(26)7-10-22-18-5-6-19(25)23-14-18/h1-6,14,16,20,22,26H,7-13H2,(H,23,25)
InChIKeyHASSGHVFNZQSPQ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.10
Rot. Bonds7

About 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one

5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one (PubChem CID 143375564) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one
PubChem CID143375564
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one
SMILESO=c1ccc(NCCC(O)N2CCC(Cc3ccc(Cl)cc3)CC2)c[nH]1
InChIInChI=1S/C20H26ClN3O2/c21-17-3-1-15(2-4-17)13-16-8-11-24(12-9-16)20(26)7-10-22-18-5-6-19(25)23-14-18/h1-6,14,16,20,22,26H,7-13H2,(H,23,25)
InChIKeyHASSGHVFNZQSPQ-UHFFFAOYSA-N
XLogP3.10
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-5-(6-oxo-1H-pyridin-3-yl)pentane-1,5-dione
CID 15985961
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
4-[(4-chlorophenyl)methyl]-1-(1-methylsulfanylethyl)piperidine
CID 126759959
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]oxolan-3-ol
CID 23587608
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879762
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820
1-(azepan-1-yl)-4-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 138379375
(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone
CID 75584204
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate
CID 174459839
2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 10273081
5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138382589

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one?
The IUPAC name of 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one (CID 143375564) is 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one?
The canonical SMILES for 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one is O=c1ccc(NCCC(O)N2CCC(Cc3ccc(Cl)cc3)CC2)c[nH]1.
What is the InChIKey of 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one?
The InChIKey is HASSGHVFNZQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c21-17-3-1-15(2-4-17)13-16-8-11-24(12-9-16)20(26)7-10-22-18-5-6-19(25)23-14-18/h1-6,14,16,20,22,26H,7-13H2,(H,23,25).
What are the key properties of 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one?
5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one has a molecular weight of 375.90 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-3-hydroxypropyl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 143375564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).