1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

C20H29N3O2 — CID 46779037

IUPAC1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-2-19(24)22-10-8-18(9-11-22)20(25)23-14-12-21(13-15-23)16-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3
InChIKeyKAWWZRRWFOGYJF-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.98
Rot. Bonds4

About 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one

1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 46779037) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID46779037
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H29N3O2/c1-2-19(24)22-10-8-18(9-11-22)20(25)23-14-12-21(13-15-23)16-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3
InChIKeyKAWWZRRWFOGYJF-UHFFFAOYSA-N
XLogP1.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
(4-benzylpiperazin-1-yl)-[1-[[4-(diethylamino)phenyl]methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151350
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 16909130
1-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 113005145
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
1-[4-(4-benzyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 55856431
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 46779037) is 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is KAWWZRRWFOGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-19(24)22-10-8-18(9-11-22)20(25)23-14-12-21(13-15-23)16-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3.
What are the key properties of 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one?
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 343.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46779037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).