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

C18H27N3O3 — CID 94821205

IUPACN-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCCOc1ncccc1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C18H27N3O3/c1-4-24-17-15(8-5-9-19-17)18(23)21-10-6-7-14(12-21)11-20-16(22)13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyVZKIFKSAXJBJLZ-AWEZNQCLSA-N
MW333.43 g/mol
LogP2.10
Rot. Bonds6

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

N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 94821205) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID94821205
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCCOc1ncccc1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1
InChIInChI=1S/C18H27N3O3/c1-4-24-17-15(8-5-9-19-17)18(23)21-10-6-7-14(12-21)11-20-16(22)13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyVZKIFKSAXJBJLZ-AWEZNQCLSA-N
XLogP2.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
N-[[(3S)-1-(3-ethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95151002
(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
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125009660
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 97136974
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 94821205) is N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide is CCOc1ncccc1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1.
What is the InChIKey of N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is VZKIFKSAXJBJLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-24-17-15(8-5-9-19-17)18(23)21-10-6-7-14(12-21)11-20-16(22)13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 94821205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).