2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C23H34N4O2 — CID 30967227

IUPAC2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1
InChIInChI=1S/C23H34N4O2/c1-3-11-24-22(28)17-25-12-14-26(15-13-25)18-23(29)27(19(2)21-9-10-21)16-20-7-5-4-6-8-20/h3-8,19,21H,1,9-18H2,2H3,(H,24,28)/t19-/m0/s1
InChIKeyOAKRLBIGOLSMLG-IBGZPJMESA-N
MW398.55 g/mol
LogP1.73
Rot. Bonds10

About 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 30967227) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID30967227
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1
InChIInChI=1S/C23H34N4O2/c1-3-11-24-22(28)17-25-12-14-26(15-13-25)18-23(29)27(19(2)21-9-10-21)16-20-7-5-4-6-8-20/h3-8,19,21H,1,9-18H2,2H3,(H,24,28)/t19-/m0/s1
InChIKeyOAKRLBIGOLSMLG-IBGZPJMESA-N
XLogP1.73
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 42923905
N-benzyl-N-(1-cyclopropylethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110879557
N-benzyl-N-(1-cyclopropylethyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 45355062
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111
3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16610998
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-(1-cyclopropylethyl)-3-(ethylamino)butanamide
CID 62839563
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907822
2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913936
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116683943

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 30967227) is 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1.
What is the InChIKey of 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is OAKRLBIGOLSMLG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H34N4O2/c1-3-11-24-22(28)17-25-12-14-26(15-13-25)18-23(29)27(19(2)21-9-10-21)16-20-7-5-4-6-8-20/h3-8,19,21H,1,9-18H2,2H3,(H,24,28)/t19-/m0/s1.
What are the key properties of 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 398.55 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 30967227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).