1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

C22H29ClN4O3 — CID 170953556

IUPAC1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2Cl)C(=O)N1
InChIInChI=1S/C22H29ClN4O3/c23-18-14-17(6-7-19(18)27-9-8-20(28)24-22(27)30)21(29)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13,15H2,(H,24,28,30)
InChIKeyXQRRSWZVTUEHIP-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 170953556) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID170953556
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2Cl)C(=O)N1
InChIInChI=1S/C22H29ClN4O3/c23-18-14-17(6-7-19(18)27-9-8-20(28)24-22(27)30)21(29)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13,15H2,(H,24,28,30)
InChIKeyXQRRSWZVTUEHIP-UHFFFAOYSA-N
XLogP3.12
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[2-chloro-5-[4-(3-hydroxypropyl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171484986
1-[2-chloro-5-[2-[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 174198515
1-[2-methyl-5-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 171484884
benzyl 4-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperazine-1-carboxylate
CID 171485104
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
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
3-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoyl]piperazin-1-yl]propanoic acid
CID 171800397
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-[1-[1-[(1-benzoylpiperidin-4-yl)methyl]piperidin-4-yl]-2-methylindol-4-yl]-1,3-diazinane-2,4-dione
CID 176562149
1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
CID 171406571
N-[[1-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]cyclohexanecarboxamide
CID 172605009

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (CID 170953556) is 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)cc2Cl)C(=O)N1.
What is the InChIKey of 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is XQRRSWZVTUEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c23-18-14-17(6-7-19(18)27-9-8-20(28)24-22(27)30)21(29)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h6-7,14,16H,1-5,8-13,15H2,(H,24,28,30).
What are the key properties of 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 432.95 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170953556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).