1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone

C13H27N3O — CID 39259440

IUPAC1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)N1CCC(N)CC1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-5-16(13(2,3)4)10-12(17)15-8-6-11(14)7-9-15/h11H,5-10,14H2,1-4H3
InChIKeyCNKBNRNQEZDQKX-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone

1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone (PubChem CID 39259440) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
PubChem CID39259440
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)N1CCC(N)CC1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-5-16(13(2,3)4)10-12(17)15-8-6-11(14)7-9-15/h11H,5-10,14H2,1-4H3
InChIKeyCNKBNRNQEZDQKX-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 79115346
1-(4-aminopiperidin-1-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 39290169
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
CID 82042195
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123375
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
CID 119374422
2-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62822717

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone (CID 39259440) is 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone is CCN(CC(=O)N1CCC(N)CC1)C(C)(C)C.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone?
The InChIKey is CNKBNRNQEZDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-16(13(2,3)4)10-12(17)15-8-6-11(14)7-9-15/h11H,5-10,14H2,1-4H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone?
1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone has a molecular weight of 241.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-[tert-butyl(ethyl)amino]ethanone is sourced from PubChem (CID 39259440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).