N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H30N4O2 — CID 47071599

IUPACN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H30N4O2/c30-24-15-20(18-29(24)22-6-2-1-3-7-22)25(31)26-21-5-4-8-23(16-21)28-13-11-27(12-14-28)17-19-9-10-19/h1-8,16,19-20H,9-15,17-18H2,(H,26,31)
InChIKeyGAAOUYSITZOJOK-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.21
Rot. Bonds6

About N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 47071599) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID47071599
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C25H30N4O2/c30-24-15-20(18-29(24)22-6-2-1-3-7-22)25(31)26-21-5-4-8-23(16-21)28-13-11-27(12-14-28)17-19-9-10-19/h1-8,16,19-20H,9-15,17-18H2,(H,26,31)
InChIKeyGAAOUYSITZOJOK-UHFFFAOYSA-N
XLogP3.21
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014298
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46446482
N-(3-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791012
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442
(3R)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7220564
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610358
5-oxo-1-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55654529

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 47071599) is N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is GAAOUYSITZOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-24-15-20(18-29(24)22-6-2-1-3-7-22)25(31)26-21-5-4-8-23(16-21)28-13-11-27(12-14-28)17-19-9-10-19/h1-8,16,19-20H,9-15,17-18H2,(H,26,31).
What are the key properties of N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 47071599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).