1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

C19H26ClN3O2 — CID 55813432

IUPAC1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C19H26ClN3O2/c1-2-18(24)23-9-5-6-15(14-23)19(25)22-12-10-21(11-13-22)17-8-4-3-7-16(17)20/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyIDUBUOVHZDKQGD-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.64
Rot. Bonds3

About 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 55813432) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID55813432
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C19H26ClN3O2/c1-2-18(24)23-9-5-6-15(14-23)19(25)22-12-10-21(11-13-22)17-8-4-3-7-16(17)20/h3-4,7-8,15H,2,5-6,9-14H2,1H3
InChIKeyIDUBUOVHZDKQGD-UHFFFAOYSA-N
XLogP2.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903
[4-(2-chlorophenyl)piperazin-1-yl]-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methanone
CID 1031812
1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97279537
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
[(1S,3R)-3-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124523270
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 55813432) is 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(C(=O)N2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is IDUBUOVHZDKQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-2-18(24)23-9-5-6-15(14-23)19(25)22-12-10-21(11-13-22)17-8-4-3-7-16(17)20/h3-4,7-8,15H,2,5-6,9-14H2,1H3.
What are the key properties of 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 363.89 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 55813432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).