N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide

C14H25N3O — CID 63256782

IUPACN-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESC=CCNC(=O)CN1CCCCC1C1CCCN1
InChIInChI=1S/C14H25N3O/c1-2-8-16-14(18)11-17-10-4-3-7-13(17)12-6-5-9-15-12/h2,12-13,15H,1,3-11H2,(H,16,18)
InChIKeyOKMUMNBDSARISH-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.90
Rot. Bonds5

About N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide

N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide (PubChem CID 63256782) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide
PubChem CID63256782
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide
SMILESC=CCNC(=O)CN1CCCCC1C1CCCN1
InChIInChI=1S/C14H25N3O/c1-2-8-16-14(18)11-17-10-4-3-7-13(17)12-6-5-9-15-12/h2,12-13,15H,1,3-11H2,(H,16,18)
InChIKeyOKMUMNBDSARISH-UHFFFAOYSA-N
XLogP0.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetyl]carbamate
CID 55167806
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273730
1-[2-oxo-2-(prop-2-enylamino)ethyl]azepane-2-carboxylic acid
CID 64562180
1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62275280
2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 79544172
N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273739
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62325407
2-[4-(piperidine-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60940035
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837819
1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62273039
N-ethyl-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273210
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide (CID 63256782) is N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide is C=CCNC(=O)CN1CCCCC1C1CCCN1.
What is the InChIKey of N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is OKMUMNBDSARISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-8-16-14(18)11-17-10-4-3-7-13(17)12-6-5-9-15-12/h2,12-13,15H,1,3-11H2,(H,16,18).
What are the key properties of N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide?
N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 63256782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).