3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide

C17H30N2O — CID 102603401

IUPAC3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H30N2O/c1-15(2)13-16(20)18-14-17(9-5-3-6-10-17)19-11-7-4-8-12-19/h13H,3-12,14H2,1-2H3,(H,18,20)
InChIKeyZXQJHAXNRHPJKX-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.26
Rot. Bonds4

About 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide

3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide (PubChem CID 102603401) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
PubChem CID102603401
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H30N2O/c1-15(2)13-16(20)18-14-17(9-5-3-6-10-17)19-11-7-4-8-12-19/h13H,3-12,14H2,1-2H3,(H,18,20)
InChIKeyZXQJHAXNRHPJKX-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methyl]acetamide
CID 146143469
(E)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 31462183
formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
CID 154909466
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 91942523
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide (CID 102603401) is 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide is CC(C)=CC(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide?
The InChIKey is ZXQJHAXNRHPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2)13-16(20)18-14-17(9-5-3-6-10-17)19-11-7-4-8-12-19/h13H,3-12,14H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide?
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide has a molecular weight of 278.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide is sourced from PubChem (CID 102603401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).