(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen

C15H33N3O — CID 142558345

IUPAC(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
SMILESC=C(C[C@H](N)C(=O)NCC)N1CCCC[C@@H]1C.CC.[H][H]
InChIInChI=1S/C13H25N3O.C2H6.H2/c1-4-15-13(17)12(14)9-11(3)16-8-6-5-7-10(16)2;1-2;/h10,12H,3-9,14H2,1-2H3,(H,15,17);1-2H3;1H/t10-,12-;;/m0../s1
InChIKeyPYVIHBDJEJIXPW-HFXMYSAISA-N
MW271.45 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen

(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen (PubChem CID 142558345) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
PubChem CID142558345
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
SMILESC=C(C[C@H](N)C(=O)NCC)N1CCCC[C@@H]1C.CC.[H][H]
InChIInChI=1S/C13H25N3O.C2H6.H2/c1-4-15-13(17)12(14)9-11(3)16-8-6-5-7-10(16)2;1-2;/h10,12H,3-9,14H2,1-2H3,(H,15,17);1-2H3;1H/t10-,12-;;/m0../s1
InChIKeyPYVIHBDJEJIXPW-HFXMYSAISA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen 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

2-Amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
CID 23590684
3,6-Bis(4-aminobutyl)-5-methylidenepiperazin-2-one
CID 70648297
1-[2-[1-(5-Aminopentylamino)ethenyl]piperidin-1-yl]hexan-1-one
CID 89301562
N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide;molecular hydrogen
CID 142558098
(2S)-2-[(2-cyclopropylacetyl)amino]-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558125
ethane;N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4-methylpentanamide;molecular hydrogen
CID 142558253
ethane;(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;molecular hydrogen
CID 142558292
(Z)-5,6-diamino-N-(1-methylpiperidin-4-yl)hex-5-enamide
CID 144649695
(Z)-6,7-diamino-N-(1-methylpiperidin-4-yl)hept-6-enamide
CID 144649719
N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide
CID 163784013
4-(dioctylamino)-2-[(1-methylpiperidin-4-yl)amino]-N,N-dioctylpent-4-enamide
CID 171073885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen?
The IUPAC name of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen (CID 142558345) is (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen.
What is the SMILES notation for (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen?
The canonical SMILES for (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen is C=C(C[C@H](N)C(=O)NCC)N1CCCC[C@@H]1C.CC.[H][H].
What is the InChIKey of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen?
The InChIKey is PYVIHBDJEJIXPW-HFXMYSAISA-N. The full InChI is InChI=1S/C13H25N3O.C2H6.H2/c1-4-15-13(17)12(14)9-11(3)16-8-6-5-7-10(16)2;1-2;/h10,12H,3-9,14H2,1-2H3,(H,15,17);1-2H3;1H/t10-,12-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen?
(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen has a molecular weight of 271.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen is sourced from PubChem (CID 142558345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).