[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone

C18H29N3O2 — CID 95303037

IUPAC[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
SMILESCCO[C@H]1CCCN(C(=O)c2ccc(N(CC)C(C)C)nc2)C1
InChIInChI=1S/C18H29N3O2/c1-5-21(14(3)4)17-10-9-15(12-19-17)18(22)20-11-7-8-16(13-20)23-6-2/h9-10,12,14,16H,5-8,11,13H2,1-4H3/t16-/m0/s1
InChIKeyWSNFSQGMAIUGSF-INIZCTEOSA-N
MW319.45 g/mol
LogP2.96
Rot. Bonds6

About [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone

[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone (PubChem CID 95303037) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
PubChem CID95303037
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
SMILESCCO[C@H]1CCCN(C(=O)c2ccc(N(CC)C(C)C)nc2)C1
InChIInChI=1S/C18H29N3O2/c1-5-21(14(3)4)17-10-9-15(12-19-17)18(22)20-11-7-8-16(13-20)23-6-2/h9-10,12,14,16H,5-8,11,13H2,1-4H3/t16-/m0/s1
InChIKeyWSNFSQGMAIUGSF-INIZCTEOSA-N
XLogP2.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
CID 120749380
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110090712
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 122268253
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 124683333
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone?
The IUPAC name of [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone (CID 95303037) is [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone?
The canonical SMILES for [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone is CCO[C@H]1CCCN(C(=O)c2ccc(N(CC)C(C)C)nc2)C1.
What is the InChIKey of [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone?
The InChIKey is WSNFSQGMAIUGSF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-21(14(3)4)17-10-9-15(12-19-17)18(22)20-11-7-8-16(13-20)23-6-2/h9-10,12,14,16H,5-8,11,13H2,1-4H3/t16-/m0/s1.
What are the key properties of [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone?
[(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-ethoxypiperidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 95303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).