(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone

C22H34N2O3 — CID 55584266

IUPAC(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C22H34N2O3/c1-17(2)10-15-27-20-9-8-18(16-21(20)26-3)22(25)24-13-11-23(12-14-24)19-6-4-5-7-19/h8-9,16-17,19H,4-7,10-15H2,1-3H3
InChIKeyFGELZAAVMVSZKA-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.82
Rot. Bonds7

About (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone

(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone (PubChem CID 55584266) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
PubChem CID55584266
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C22H34N2O3/c1-17(2)10-15-27-20-9-8-18(16-21(20)26-3)22(25)24-13-11-23(12-14-24)19-6-4-5-7-19/h8-9,16-17,19H,4-7,10-15H2,1-3H3
InChIKeyFGELZAAVMVSZKA-UHFFFAOYSA-N
XLogP3.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[3-methoxy-4-(3-methylbutoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579815
[3-methoxy-4-(3-methylbutoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306324
[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55507501
[(5aS)-spiro[5a,6,7,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen
CID 157109760
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 55584592
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749510

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone (CID 55584266) is (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone is COc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1OCCC(C)C.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone?
The InChIKey is FGELZAAVMVSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-17(2)10-15-27-20-9-8-18(16-21(20)26-3)22(25)24-13-11-23(12-14-24)19-6-4-5-7-19/h8-9,16-17,19H,4-7,10-15H2,1-3H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone has a molecular weight of 374.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone is sourced from PubChem (CID 55584266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).