ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide

C15H30N2O — CID 142187737

IUPACethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
SMILESC/C=C\C1CCCN(C(C)C)C1C(=O)NC.CC
InChIInChI=1S/C13H24N2O.C2H6/c1-5-7-11-8-6-9-15(10(2)3)12(11)13(16)14-4;1-2/h5,7,10-12H,6,8-9H2,1-4H3,(H,14,16);1-2H3/b7-5-;
InChIKeyPHXSRNDTYQRUBQ-YJOCEBFMSA-N
MW254.42 g/mol
LogP2.82
Rot. Bonds3

About ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide

ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide (PubChem CID 142187737) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
PubChem CID142187737
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Nameethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide
SMILESC/C=C\C1CCCN(C(C)C)C1C(=O)NC.CC
InChIInChI=1S/C13H24N2O.C2H6/c1-5-7-11-8-6-9-15(10(2)3)12(11)13(16)14-4;1-2/h5,7,10-12H,6,8-9H2,1-4H3,(H,14,16);1-2H3/b7-5-;
InChIKeyPHXSRNDTYQRUBQ-YJOCEBFMSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide 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-Cyclopent-2-en-1-yl-1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)ethanone
CID 71099590
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
1-(2-Methylpiperidin-1-yl)cyclohex-3-ene-1-carboxamide
CID 90333869
1-[(2S)-2-methylpiperidin-1-yl]cyclohex-3-ene-1-carboxamide
CID 91560293
N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
CID 42564928
N-cyclohex-3-en-1-yl-1-propan-2-ylpiperidine-2-carboxamide
CID 72001115
(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
CID 96740616
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 125520738
3-Amino-5-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1-propylpiperidin-2-one
CID 123549785
(3S,5S)-3-amino-5-[(3E,5Z)-3-fluorohepta-1,3,5-trien-2-yl]-1-(2-methylpropyl)piperidin-2-one
CID 126545846
N-methyl-1-piperidin-1-ylcyclohex-3-ene-1-carboxamide
CID 90791148

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
The IUPAC name of ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide (CID 142187737) is ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide.
What is the SMILES notation for ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
The canonical SMILES for ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide is C/C=C\C1CCCN(C(C)C)C1C(=O)NC.CC.
What is the InChIKey of ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
The InChIKey is PHXSRNDTYQRUBQ-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H24N2O.C2H6/c1-5-7-11-8-6-9-15(10(2)3)12(11)13(16)14-4;1-2/h5,7,10-12H,6,8-9H2,1-4H3,(H,14,16);1-2H3/b7-5-;.
What are the key properties of ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide?
ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]piperidine-2-carboxamide is sourced from PubChem (CID 142187737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).