[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone

C23H35ClN4O — CID 45228263

IUPAC[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
SMILESCCN1CCC(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)CC1
InChIInChI=1S/C23H35ClN4O/c1-2-25-11-8-19(9-12-25)23(29)28-10-4-7-22(18-28)27-15-13-26(14-16-27)21-6-3-5-20(24)17-21/h3,5-6,17,19,22H,2,4,7-16,18H2,1H3
InChIKeyUZXGJXPCGDHGIW-UHFFFAOYSA-N
MW419.01 g/mol
LogP3.18
Rot. Bonds4

About [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone

[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone (PubChem CID 45228263) has the molecular formula C23H35ClN4O and a molecular weight of 419.01 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
PubChem CID45228263
Molecular FormulaC23H35ClN4O
Molecular Weight419.01 g/mol
Exact Mass418.25
IUPAC Name[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
SMILESCCN1CCC(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)CC1
InChIInChI=1S/C23H35ClN4O/c1-2-25-11-8-19(9-12-25)23(29)28-10-4-7-22(18-28)27-15-13-26(14-16-27)21-6-3-5-20(24)17-21/h3,5-6,17,19,22H,2,4,7-16,18H2,1H3
InChIKeyUZXGJXPCGDHGIW-UHFFFAOYSA-N
XLogP3.18
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.01
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365
cyclopropyl-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
CID 42516872
(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 95719083
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 92889606
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 25289401
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
(3-chloro-4-fluorophenyl)-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45231780
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone (CID 45228263) is [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone is CCN1CCC(C(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)CC1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
The InChIKey is UZXGJXPCGDHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN4O/c1-2-25-11-8-19(9-12-25)23(29)28-10-4-7-22(18-28)27-15-13-26(14-16-27)21-6-3-5-20(24)17-21/h3,5-6,17,19,22H,2,4,7-16,18H2,1H3.
What are the key properties of [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone has a molecular weight of 419.01 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 45228263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).