(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide

C24H33N3O — CID 51948261

IUPAC(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-3-26-13-15-27(16-14-26)19-23-12-8-7-11-22(23)18-25-24(28)17-20(2)21-9-5-4-6-10-21/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyLBBPQOBGENWNJG-FQEVSTJZSA-N
MW379.55 g/mol
LogP3.63
Rot. Bonds8

About (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide

(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide (PubChem CID 51948261) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
PubChem CID51948261
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C[C@H](C)c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-3-26-13-15-27(16-14-26)19-23-12-8-7-11-22(23)18-25-24(28)17-20(2)21-9-5-4-6-10-21/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyLBBPQOBGENWNJG-FQEVSTJZSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 78886106
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
3-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide
CID 119954117
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55714907
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55843018
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55715142

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide?
The IUPAC name of (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide (CID 51948261) is (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide?
The canonical SMILES for (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide is CCN1CCN(Cc2ccccc2CNC(=O)C[C@H](C)c2ccccc2)CC1.
What is the InChIKey of (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide?
The InChIKey is LBBPQOBGENWNJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-26-13-15-27(16-14-26)19-23-12-8-7-11-22(23)18-25-24(28)17-20(2)21-9-5-4-6-10-21/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide?
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide has a molecular weight of 379.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 51948261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).