3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one

C13H26N2O — CID 109013070

IUPAC3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCC(C)NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-4-12(3)14-8-5-13(16)15-9-6-11(2)7-10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyZMFOYZMLKABEQA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds5

About 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 109013070) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID109013070
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCC(C)NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C13H26N2O/c1-4-12(3)14-8-5-13(16)15-9-6-11(2)7-10-15/h11-12,14H,4-10H2,1-3H3
InChIKeyZMFOYZMLKABEQA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethylsulfanylpropan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 56721562
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
CID 143122837
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722
N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
CID 54872195
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 109013070) is 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one is CCC(C)NCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ZMFOYZMLKABEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-12(3)14-8-5-13(16)15-9-6-11(2)7-10-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109013070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).