(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide

C19H29N3O3 — CID 95161190

IUPAC(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-17(25-4-2)19(24)20-14-18(23)22-12-10-21(11-13-22)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyKCWXGAKQZMACNG-KRWDZBQOSA-N
MW347.46 g/mol
LogP1.26
Rot. Bonds8

About (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide

(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide (PubChem CID 95161190) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
PubChem CID95161190
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
SMILESCCO[C@@H](CC)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-17(25-4-2)19(24)20-14-18(23)22-12-10-21(11-13-22)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1
InChIKeyKCWXGAKQZMACNG-KRWDZBQOSA-N
XLogP1.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55928827
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
ethyl N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]carbamate
CID 110287347
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide?
The IUPAC name of (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide (CID 95161190) is (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide.
What is the SMILES notation for (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide?
The canonical SMILES for (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide is CCO[C@@H](CC)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide?
The InChIKey is KCWXGAKQZMACNG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-17(25-4-2)19(24)20-14-18(23)22-12-10-21(11-13-22)15-16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide?
(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide has a molecular weight of 347.46 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide is sourced from PubChem (CID 95161190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).