2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide

C17H30N4O2 — CID 71863184

IUPAC2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C2CCCN(C(C)C)C2=O)CC1
InChIInChI=1S/C17H30N4O2/c1-4-7-18-16(22)13-19-9-11-20(12-10-19)15-6-5-8-21(14(2)3)17(15)23/h4,14-15H,1,5-13H2,2-3H3,(H,18,22)
InChIKeyKKURLVPWHZLTCE-UHFFFAOYSA-N
MW322.45 g/mol
LogP0.31
Rot. Bonds6

About 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 71863184) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID71863184
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C2CCCN(C(C)C)C2=O)CC1
InChIInChI=1S/C17H30N4O2/c1-4-7-18-16(22)13-19-9-11-20(12-10-19)15-6-5-8-21(14(2)3)17(15)23/h4,14-15H,1,5-13H2,2-3H3,(H,18,22)
InChIKeyKKURLVPWHZLTCE-UHFFFAOYSA-N
XLogP0.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.31
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

N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319544
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-[(1R)-cyclohex-2-en-1-yl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 95149850
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-(piperidine-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60940035
4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]-N-pyridin-4-ylpiperazine-1-carboxamide
CID 97344495
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-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837819
2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
CID 95281336
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 71863184) is 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C2CCCN(C(C)C)C2=O)CC1.
What is the InChIKey of 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is KKURLVPWHZLTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-7-18-16(22)13-19-9-11-20(12-10-19)15-6-5-8-21(14(2)3)17(15)23/h4,14-15H,1,5-13H2,2-3H3,(H,18,22).
What are the key properties of 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 322.45 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 71863184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).