1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

C19H24ClN3O4 — CID 171484986

IUPAC1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc(C(=O)N3CCC(CCCO)CC3)ccc2Cl)C(=O)N1
InChIInChI=1S/C19H24ClN3O4/c20-15-4-3-14(12-16(15)23-10-7-17(25)21-19(23)27)18(26)22-8-5-13(6-9-22)2-1-11-24/h3-4,12-13,24H,1-2,5-11H2,(H,21,25,27)
InChIKeyFZWNAEAHXLDYKR-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.41
Rot. Bonds5

About 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 171484986) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID171484986
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cc(C(=O)N3CCC(CCCO)CC3)ccc2Cl)C(=O)N1
InChIInChI=1S/C19H24ClN3O4/c20-15-4-3-14(12-16(15)23-10-7-17(25)21-19(23)27)18(26)22-8-5-13(6-9-22)2-1-11-24/h3-4,12-13,24H,1-2,5-11H2,(H,21,25,27)
InChIKeyFZWNAEAHXLDYKR-UHFFFAOYSA-N
XLogP2.41
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-5-[4-(3,3-difluoropiperidin-4-yl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 176559378
1-[2-chloro-5-[4-(4-piperazin-1-ylbut-1-ynyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171485379
1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 170953556
1-(5-bromo-2-chlorophenyl)-1,3-diazinane-2,4-dione
CID 79776913
4-[[1-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175325032
(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
benzyl N-[2-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]ethyl]-N-methylcarbamate
CID 167439984
1-[2-methyl-5-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171484884
1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
CID 17474999
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
tert-butyl N-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzoyl]piperidin-4-yl]methyl]piperidin-1-yl]carbamate
CID 170073099
1-[2-methyl-5-[4-(4-propan-2-yloxycyclohexyl)oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 165372779

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (CID 171484986) is 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cc(C(=O)N3CCC(CCCO)CC3)ccc2Cl)C(=O)N1.
What is the InChIKey of 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is FZWNAEAHXLDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c20-15-4-3-14(12-16(15)23-10-7-17(25)21-19(23)27)18(26)22-8-5-13(6-9-22)2-1-11-24/h3-4,12-13,24H,1-2,5-11H2,(H,21,25,27).
What are the key properties of 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 393.87 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171484986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).