[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone

C23H29N3O2 — CID 59382130

IUPAC[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(25-12-4-5-13-25)26-16-14-24(15-17-26)18-20-8-10-22(11-9-20)28-19-21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2
InChIKeyHRCZKUQBFIAPIU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.60
Rot. Bonds5

About [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone

[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 59382130) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID59382130
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(25-12-4-5-13-25)26-16-14-24(15-17-26)18-20-8-10-22(11-9-20)28-19-21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2
InChIKeyHRCZKUQBFIAPIU-UHFFFAOYSA-N
XLogP3.60
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
2-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 90717393
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]benzoic acid
CID 10244950
(4-benzylpiperazin-1-yl)-[4-[(4-chlorophenyl)methoxy]phenyl]methanethione
CID 4207157
4-oxo-4-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]butane-1-sulfonamide
CID 140552273
bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
1-benzyl-4-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]piperazine
CID 58422761
(4-methylpiperidin-1-yl)-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone;hydrochloride
CID 163328056
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 59382130) is [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HRCZKUQBFIAPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(25-12-4-5-13-25)26-16-14-24(15-17-26)18-20-8-10-22(11-9-20)28-19-21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2.
What are the key properties of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 379.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59382130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).