1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one

C21H29Cl2N3O2 — CID 86903567

IUPAC1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C21H29Cl2N3O2/c1-15(2)20(27)25-8-6-16(7-9-25)21(28)26-12-10-24(11-13-26)14-17-4-3-5-18(22)19(17)23/h3-5,15-16H,6-14H2,1-2H3
InChIKeyUYZNHHVBBGQWOQ-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 86903567) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID86903567
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C21H29Cl2N3O2/c1-15(2)20(27)25-8-6-16(7-9-25)21(28)26-12-10-24(11-13-26)14-17-4-3-5-18(22)19(17)23/h3-5,15-16H,6-14H2,1-2H3
InChIKeyUYZNHHVBBGQWOQ-UHFFFAOYSA-N
XLogP3.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

(2R)-2-amino-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 99718988
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
2-[cyclopropyl(methyl)amino]-1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 86905781
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
N-[1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 86903665
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 17022662
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 45017329
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one (CID 86903567) is 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1.
What is the InChIKey of 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is UYZNHHVBBGQWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O2/c1-15(2)20(27)25-8-6-16(7-9-25)21(28)26-12-10-24(11-13-26)14-17-4-3-5-18(22)19(17)23/h3-5,15-16H,6-14H2,1-2H3.
What are the key properties of 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 426.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 86903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).