N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C24H38N4O2 — CID 112826975

IUPACN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NCc2ccccc2CN2CCN(CC)CC2)CC1=O
InChIInChI=1S/C24H38N4O2/c1-4-22(5-2)28-18-21(15-23(28)29)24(30)25-16-19-9-7-8-10-20(19)17-27-13-11-26(6-3)12-14-27/h7-10,21-22H,4-6,11-18H2,1-3H3,(H,25,30)
InChIKeyAQVYEDQXMCMMAK-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.48
Rot. Bonds9

About N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 112826975) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID112826975
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NCc2ccccc2CN2CCN(CC)CC2)CC1=O
InChIInChI=1S/C24H38N4O2/c1-4-22(5-2)28-18-21(15-23(28)29)24(30)25-16-19-9-7-8-10-20(19)17-27-13-11-26(6-3)12-14-27/h7-10,21-22H,4-6,11-18H2,1-3H3,(H,25,30)
InChIKeyAQVYEDQXMCMMAK-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 99845338
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 55714786
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
5-oxo-1-pentan-3-yl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 112826837
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
N-(2-amino-2-phenylethyl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119528091
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826660

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 112826975) is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)NCc2ccccc2CN2CCN(CC)CC2)CC1=O.
What is the InChIKey of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is AQVYEDQXMCMMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-4-22(5-2)28-18-21(15-23(28)29)24(30)25-16-19-9-7-8-10-20(19)17-27-13-11-26(6-3)12-14-27/h7-10,21-22H,4-6,11-18H2,1-3H3,(H,25,30).
What are the key properties of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112826975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).