N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide

C17H31N5O3 — CID 42934015

IUPACN-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
SMILESC=CCNC(=O)CN1CCN(C(C)C(=O)NC(=O)NCC(C)C)CC1
InChIInChI=1S/C17H31N5O3/c1-5-6-18-15(23)12-21-7-9-22(10-8-21)14(4)16(24)20-17(25)19-11-13(2)3/h5,13-14H,1,6-12H2,2-4H3,(H,18,23)(H2,19,20,24,25)
InChIKeyGPJVVYOQELLUMG-UHFFFAOYSA-N
MW353.47 g/mol
LogP-0.22
Rot. Bonds8

About N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide

N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide (PubChem CID 42934015) has the molecular formula C17H31N5O3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
PubChem CID42934015
Molecular FormulaC17H31N5O3
Molecular Weight353.47 g/mol
Exact Mass353.24
IUPAC NameN-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
SMILESC=CCNC(=O)CN1CCN(C(C)C(=O)NC(=O)NCC(C)C)CC1
InChIInChI=1S/C17H31N5O3/c1-5-6-18-15(23)12-21-7-9-22(10-8-21)14(4)16(24)20-17(25)19-11-13(2)3/h5,13-14H,1,6-12H2,2-4H3,(H,18,23)(H2,19,20,24,25)
InChIKeyGPJVVYOQELLUMG-UHFFFAOYSA-N
XLogP-0.22
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]propanamide
CID 43037834
2-[4-[2-(ethylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30967520
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55471088
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24534624
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 43036041
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 42926214
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide (CID 42934015) is N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide is C=CCNC(=O)CN1CCN(C(C)C(=O)NC(=O)NCC(C)C)CC1.
What is the InChIKey of N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
The InChIKey is GPJVVYOQELLUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3/c1-5-6-18-15(23)12-21-7-9-22(10-8-21)14(4)16(24)20-17(25)19-11-13(2)3/h5,13-14H,1,6-12H2,2-4H3,(H,18,23)(H2,19,20,24,25).
What are the key properties of N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide?
N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide has a molecular weight of 353.47 g/mol, XLogP of -0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylcarbamoyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 42934015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).