N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide

C18H27N3O3 — CID 51107687

IUPACN-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)c2cccnc2OCC)C1
InChIInChI=1S/C18H27N3O3/c1-3-7-16(22)20-12-14-8-6-11-21(13-14)18(23)15-9-5-10-19-17(15)24-4-2/h5,9-10,14H,3-4,6-8,11-13H2,1-2H3,(H,20,22)
InChIKeyPYFLFJBOXQJBBC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.25
Rot. Bonds7

About N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide

N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide (PubChem CID 51107687) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
PubChem CID51107687
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(C(=O)c2cccnc2OCC)C1
InChIInChI=1S/C18H27N3O3/c1-3-7-16(22)20-12-14-8-6-11-21(13-14)18(23)15-9-5-10-19-17(15)24-4-2/h5,9-10,14H,3-4,6-8,11-13H2,1-2H3,(H,20,22)
InChIKeyPYFLFJBOXQJBBC-UHFFFAOYSA-N
XLogP2.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
N-[[(3R)-1-(2-methylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95304598
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124956924
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125009660
N-[[(3S)-1-[6-(cyclopropylamino)pyridine-3-carbonyl]piperidin-3-yl]methyl]butanamide
CID 95292303
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 97136974
N-[[(3S)-1-[2-(2,5-dimethylpyrrol-1-yl)-5-methylbenzoyl]piperidin-3-yl]methyl]butanamide
CID 52861399
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide (CID 51107687) is N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(C(=O)c2cccnc2OCC)C1.
What is the InChIKey of N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is PYFLFJBOXQJBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-7-16(22)20-12-14-8-6-11-21(13-14)18(23)15-9-5-10-19-17(15)24-4-2/h5,9-10,14H,3-4,6-8,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide?
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 333.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 51107687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).