[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C19H29N3O2 — CID 72924697

IUPAC[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCC1(CO)CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-2-19(15-23)8-4-10-22(14-19)17-6-11-21(12-7-17)18(24)16-5-3-9-20-13-16/h3,5,9,13,17,23H,2,4,6-8,10-12,14-15H2,1H3
InChIKeyCBZKJKGRPXRQEM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.17
Rot. Bonds4

About [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 72924697) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID72924697
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCC1(CO)CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1
InChIInChI=1S/C19H29N3O2/c1-2-19(15-23)8-4-10-22(14-19)17-6-11-21(12-7-17)18(24)16-5-3-9-20-13-16/h3,5,9,13,17,23H,2,4,6-8,10-12,14-15H2,1H3
InChIKeyCBZKJKGRPXRQEM-UHFFFAOYSA-N
XLogP2.17
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
[4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97154394
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 138380400
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097

Frequently Asked Questions

What is the IUPAC name of [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 72924697) is [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is CCC1(CO)CCCN(C2CCN(C(=O)c3cccnc3)CC2)C1.
What is the InChIKey of [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is CBZKJKGRPXRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-19(15-23)8-4-10-22(14-19)17-6-11-21(12-7-17)18(24)16-5-3-9-20-13-16/h3,5,9,13,17,23H,2,4,6-8,10-12,14-15H2,1H3.
What are the key properties of [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 331.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 72924697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).