2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

C21H37N3O2 — CID 87012815

IUPAC2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CN3CCCCCCC3)CC2)C1
InChIInChI=1S/C21H37N3O2/c1-18-8-7-13-24(16-18)21(26)19-9-14-23(15-10-19)20(25)17-22-11-5-3-2-4-6-12-22/h18-19H,2-17H2,1H3
InChIKeyILZQMENJKWHNLC-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.75
Rot. Bonds3

About 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 87012815) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID87012815
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CN3CCCCCCC3)CC2)C1
InChIInChI=1S/C21H37N3O2/c1-18-8-7-13-24(16-18)21(26)19-9-14-23(15-10-19)20(25)17-22-11-5-3-2-4-6-12-22/h18-19H,2-17H2,1H3
InChIKeyILZQMENJKWHNLC-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-(4-chloropyrazol-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 136526860
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119733147
1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 134051301
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55376220
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 87012815) is 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is CC1CCCN(C(=O)C2CCN(C(=O)CN3CCCCCCC3)CC2)C1.
What is the InChIKey of 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is ILZQMENJKWHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-18-8-7-13-24(16-18)21(26)19-9-14-23(15-10-19)20(25)17-22-11-5-3-2-4-6-12-22/h18-19H,2-17H2,1H3.
What are the key properties of 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 363.55 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87012815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).