N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide

C18H27N3O — CID 71993309

IUPACN-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)C=C(C)C
InChIInChI=1S/C18H27N3O/c1-4-20(18(22)13-15(2)3)14-16-8-11-21(12-9-16)17-7-5-6-10-19-17/h5-7,10,13,16H,4,8-9,11-12,14H2,1-3H3
InChIKeyMCTQYAKHJMTHJJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.11
Rot. Bonds5

About N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide

N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide (PubChem CID 71993309) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
PubChem CID71993309
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
SMILESCCN(CC1CCN(c2ccccn2)CC1)C(=O)C=C(C)C
InChIInChI=1S/C18H27N3O/c1-4-20(18(22)13-15(2)3)14-16-8-11-21(12-9-16)17-7-5-6-10-19-17/h5-7,10,13,16H,4,8-9,11-12,14H2,1-3H3
InChIKeyMCTQYAKHJMTHJJ-UHFFFAOYSA-N
XLogP3.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 119891449
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
(3S)-N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 29258017
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide?
The IUPAC name of N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide (CID 71993309) is N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide?
The canonical SMILES for N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide is CCN(CC1CCN(c2ccccn2)CC1)C(=O)C=C(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide?
The InChIKey is MCTQYAKHJMTHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-20(18(22)13-15(2)3)14-16-8-11-21(12-9-16)17-7-5-6-10-19-17/h5-7,10,13,16H,4,8-9,11-12,14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide?
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide has a molecular weight of 301.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide is sourced from PubChem (CID 71993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).