4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide

C27H31N3O2 — CID 15296377

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide
SMILESC#CCN(CC#C)C(=O)C(CCN1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-4-16-30(17-5-2)27(31)24(23-11-7-6-8-12-23)15-18-28-19-21-29(22-20-28)25-13-9-10-14-26(25)32-3/h1-2,6-14,24H,15-22H2,3H3
InChIKeyNYKOHLSBYOFUKF-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.09
Rot. Bonds9

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide (PubChem CID 15296377) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide
PubChem CID15296377
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide
SMILESC#CCN(CC#C)C(=O)C(CCN1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C27H31N3O2/c1-4-16-30(17-5-2)27(31)24(23-11-7-6-8-12-23)15-18-28-19-21-29(22-20-28)25-13-9-10-14-26(25)32-3/h1-2,6-14,24H,15-22H2,3H3
InChIKeyNYKOHLSBYOFUKF-UHFFFAOYSA-N
XLogP3.09
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one
CID 19968357
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one;dihydrochloride
CID 22244113
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
(2R)-1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 22870578

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide (CID 15296377) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide is C#CCN(CC#C)C(=O)C(CCN1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide?
The InChIKey is NYKOHLSBYOFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-4-16-30(17-5-2)27(31)24(23-11-7-6-8-12-23)15-18-28-19-21-29(22-20-28)25-13-9-10-14-26(25)32-3/h1-2,6-14,24H,15-22H2,3H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide has a molecular weight of 429.56 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N,N-bis(prop-2-ynyl)butanamide is sourced from PubChem (CID 15296377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).