[4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone

C22H29N3O2 — CID 131901836

IUPAC[4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCOc1ccc(C(CC)NC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-21(17-7-9-20(10-8-17)27-4-2)24-19-11-14-25(15-12-19)22(26)18-6-5-13-23-16-18/h5-10,13,16,19,21,24H,3-4,11-12,14-15H2,1-2H3
InChIKeyRFFZWYBVEPOXIK-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.83
Rot. Bonds7

About [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 131901836) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID131901836
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCOc1ccc(C(CC)NC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-21(17-7-9-20(10-8-17)27-4-2)24-19-11-14-25(15-12-19)22(26)18-6-5-13-23-16-18/h5-10,13,16,19,21,24H,3-4,11-12,14-15H2,1-2H3
InChIKeyRFFZWYBVEPOXIK-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
(4-propoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808477

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone (CID 131901836) is [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone is CCOc1ccc(C(CC)NC2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is RFFZWYBVEPOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-21(17-7-9-20(10-8-17)27-4-2)24-19-11-14-25(15-12-19)22(26)18-6-5-13-23-16-18/h5-10,13,16,19,21,24H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 367.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-ethoxyphenyl)propylamino]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 131901836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).