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

C16H22ClN3O — CID 81118918

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O/c17-14-3-5-15(6-4-14)19-8-10-20(11-9-19)16(21)13-2-1-7-18-12-13/h3-6,13,18H,1-2,7-12H2/t13-/m1/s1
InChIKeyMBRRHPDXVGIUJI-CYBMUJFWSA-N
MW307.82 g/mol
LogP1.99
Rot. Bonds2

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

[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone (PubChem CID 81118918) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
PubChem CID81118918
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCNC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O/c17-14-3-5-15(6-4-14)19-8-10-20(11-9-19)16(21)13-2-1-7-18-12-13/h3-6,13,18H,1-2,7-12H2/t13-/m1/s1
InChIKeyMBRRHPDXVGIUJI-CYBMUJFWSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
[(3S)-1-cyclopropylpiperidin-3-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone;[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 69129036
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
4-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843950
[4-(3-nitrophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119858316
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone (CID 81118918) is [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone is O=C([C@@H]1CCCNC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
The InChIKey is MBRRHPDXVGIUJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-3-5-15(6-4-14)19-8-10-20(11-9-19)16(21)13-2-1-7-18-12-13/h3-6,13,18H,1-2,7-12H2/t13-/m1/s1.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone has a molecular weight of 307.82 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 81118918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).