(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one

C26H32ClN3O2 — CID 34894788

IUPAC(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C26H32ClN3O2/c1-20(25(31)29-13-11-22(12-14-29)19-21-7-3-2-4-8-21)28-15-17-30(18-16-28)26(32)23-9-5-6-10-24(23)27/h2-10,20,22H,11-19H2,1H3/t20-/m1/s1
InChIKeyPZWOKYBLBUSGPR-HXUWFJFHSA-N
MW454.01 g/mol
LogP3.97
Rot. Bonds5

About (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one

(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 34894788) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
PubChem CID34894788
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C26H32ClN3O2/c1-20(25(31)29-13-11-22(12-14-29)19-21-7-3-2-4-8-21)28-15-17-30(18-16-28)26(32)23-9-5-6-10-24(23)27/h2-10,20,22H,11-19H2,1H3/t20-/m1/s1
InChIKeyPZWOKYBLBUSGPR-HXUWFJFHSA-N
XLogP3.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55832301
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
2-(4-benzylpiperidin-1-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119540343

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one (CID 34894788) is (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is PZWOKYBLBUSGPR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-20(25(31)29-13-11-22(12-14-29)19-21-7-3-2-4-8-21)28-15-17-30(18-16-28)26(32)23-9-5-6-10-24(23)27/h2-10,20,22H,11-19H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one?
(2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 454.01 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 34894788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).