1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one

C20H34N2O2 — CID 68633970

IUPAC1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(CCC2CCCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C20H34N2O2/c1-15(2)19(23)21-11-3-5-16(13-21)7-8-17-6-4-12-22(14-17)20(24)18-9-10-18/h15-18H,3-14H2,1-2H3
InChIKeyJANDXMWBRKDXON-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.31
Rot. Bonds5

About 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 68633970) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID68633970
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(CCC2CCCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C20H34N2O2/c1-15(2)19(23)21-11-3-5-16(13-21)7-8-17-6-4-12-22(14-17)20(24)18-9-10-18/h15-18H,3-14H2,1-2H3
InChIKeyJANDXMWBRKDXON-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
1-[3-[(3S)-3-hydroxypiperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 107224856
[3-(2-chloroethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63395841
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536
1-[3-(4-hydroxypiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43419670
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one (CID 68633970) is 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(CCC2CCCN(C(=O)C3CC3)C2)C1.
What is the InChIKey of 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is JANDXMWBRKDXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-15(2)19(23)21-11-3-5-16(13-21)7-8-17-6-4-12-22(14-17)20(24)18-9-10-18/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 334.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 68633970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).