1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one

C13H26N2O — CID 62930053

IUPAC1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-5-12(16)15-9-6-13(3,4)7-10-15/h11,14H,5-10H2,1-4H3
InChIKeyFJTXKADMJVHRBI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds4

About 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one

1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one (PubChem CID 62930053) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
PubChem CID62930053
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
SMILESCC(C)NCCC(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-5-12(16)15-9-6-13(3,4)7-10-15/h11,14H,5-10H2,1-4H3
InChIKeyFJTXKADMJVHRBI-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
1-(4-methylsulfanylazepan-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 114237053
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
CID 54872195
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 112625056
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62691166

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one (CID 62930053) is 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one is CC(C)NCCC(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
The InChIKey is FJTXKADMJVHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-8-5-12(16)15-9-6-13(3,4)7-10-15/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one?
1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 62930053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).