(2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C16H29N3O3 — CID 129490014

IUPAC(2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H](O)C(N)=O)CC1
InChIInChI=1S/C16H29N3O3/c1-5-18(10-11(2)3)16(22)12(4)19-8-6-13(7-9-19)14(20)15(17)21/h12-14,20H,2,5-10H2,1,3-4H3,(H2,17,21)/t12-,14-/m1/s1
InChIKeyMFFXKKIGXDRBNW-TZMCWYRMSA-N
MW311.43 g/mol
LogP0.36
Rot. Bonds7

About (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide

(2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 129490014) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID129490014
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H](O)C(N)=O)CC1
InChIInChI=1S/C16H29N3O3/c1-5-18(10-11(2)3)16(22)12(4)19-8-6-13(7-9-19)14(20)15(17)21/h12-14,20H,2,5-10H2,1,3-4H3,(H2,17,21)/t12-,14-/m1/s1
InChIKeyMFFXKKIGXDRBNW-TZMCWYRMSA-N
XLogP0.36
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718783
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109173
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 79867648
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N,N-diethylpropanamide;hydrochloride
CID 120774556
N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 87022176
2-(4-hydroxypiperidin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 110884233
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 107161572
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide
CID 139010756
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 110877676
(2R)-2-hydroxy-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
CID 129489847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 129490014) is (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H](O)C(N)=O)CC1.
What is the InChIKey of (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is MFFXKKIGXDRBNW-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-5-18(10-11(2)3)16(22)12(4)19-8-6-13(7-9-19)14(20)15(17)21/h12-14,20H,2,5-10H2,1,3-4H3,(H2,17,21)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
(2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(1R)-2-amino-1-hydroxy-2-oxoethyl]piperidin-1-yl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 129490014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).