1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one

C15H26N2O2 — CID 78974180

IUPAC1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one
SMILESCC(C)CCN(CC(=O)N1CCC(=O)CC1)C1CC1
InChIInChI=1S/C15H26N2O2/c1-12(2)5-8-17(13-3-4-13)11-15(19)16-9-6-14(18)7-10-16/h12-13H,3-11H2,1-2H3
InChIKeyJCVVWIYQFJSEAP-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.69
Rot. Bonds6

About 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one

1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one (PubChem CID 78974180) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one
PubChem CID78974180
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one
SMILESCC(C)CCN(CC(=O)N1CCC(=O)CC1)C1CC1
InChIInChI=1S/C15H26N2O2/c1-12(2)5-8-17(13-3-4-13)11-15(19)16-9-6-14(18)7-10-16/h12-13H,3-11H2,1-2H3
InChIKeyJCVVWIYQFJSEAP-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
CID 62029166
2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94061744
2-[cyclopropyl(3-methylbutyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 47025083
4-[bis(3-methylbutyl)amino]cyclohexan-1-one
CID 114011303
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
4-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-one
CID 114762136
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
CID 113223487
1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one
CID 61437890
2-[cyclopropyl(3-methylbutyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78974200
2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34412666

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one (CID 78974180) is 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one is CC(C)CCN(CC(=O)N1CCC(=O)CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one?
The InChIKey is JCVVWIYQFJSEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)5-8-17(13-3-4-13)11-15(19)16-9-6-14(18)7-10-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one?
1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one has a molecular weight of 266.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 78974180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).