(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone

C20H29N3O2 — CID 109090134

IUPAC(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H29N3O2/c1-3-17-8-4-5-12-23(17)19(24)16-9-10-21-18(13-16)20(25)22-11-6-7-15(2)14-22/h9-10,13,15,17H,3-8,11-12,14H2,1-2H3
InChIKeyOCBQXXSTPGPWNZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.36
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone

(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone (PubChem CID 109090134) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
PubChem CID109090134
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H29N3O2/c1-3-17-8-4-5-12-23(17)19(24)16-9-10-21-18(13-16)20(25)22-11-6-7-15(2)14-22/h9-10,13,15,17H,3-8,11-12,14H2,1-2H3
InChIKeyOCBQXXSTPGPWNZ-UHFFFAOYSA-N
XLogP3.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone
CID 109084452
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196164

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone (CID 109090134) is (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccnc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
The InChIKey is OCBQXXSTPGPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-17-8-4-5-12-23(17)19(24)16-9-10-21-18(13-16)20(25)22-11-6-7-15(2)14-22/h9-10,13,15,17H,3-8,11-12,14H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone has a molecular weight of 343.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]methanone is sourced from PubChem (CID 109090134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).