2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide

C15H27N3O2 — CID 95281336

IUPAC2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
SMILESC=CCNC(=O)CN1CCC[C@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C15H27N3O2/c1-4-7-16-14(19)11-18-8-5-6-13(10-18)9-17-15(20)12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyYAOTULHHBVQEBU-CYBMUJFWSA-N
MW281.40 g/mol
LogP0.77
Rot. Bonds7

About 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide

2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide (PubChem CID 95281336) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
PubChem CID95281336
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide
SMILESC=CCNC(=O)CN1CCC[C@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C15H27N3O2/c1-4-7-16-14(19)11-18-8-5-6-13(10-18)9-17-15(20)12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyYAOTULHHBVQEBU-CYBMUJFWSA-N
XLogP0.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.77
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

N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429
N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
N-[[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 110008877
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
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-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide (CID 95281336) is 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide is C=CCNC(=O)CN1CCC[C@H](CNC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide?
The InChIKey is YAOTULHHBVQEBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-7-16-14(19)11-18-8-5-6-13(10-18)9-17-15(20)12(2)3/h4,12-13H,1,5-11H2,2-3H3,(H,16,19)(H,17,20)/t13-/m1/s1.
What are the key properties of 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide?
2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide has a molecular weight of 281.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(3R)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95281336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).