2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone

C14H27N3O — CID 79328192

IUPAC2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
SMILESCC1CCCCCN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C14H27N3O/c1-12-5-3-2-4-8-17(12)14(18)11-16-9-6-13(15)7-10-16/h12-13H,2-11,15H2,1H3
InChIKeyNCPWPLBMEMTRKC-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone

2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone (PubChem CID 79328192) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
PubChem CID79328192
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
SMILESCC1CCCCCN1C(=O)CN1CCC(N)CC1
InChIInChI=1S/C14H27N3O/c1-12-5-3-2-4-8-17(12)14(18)11-16-9-6-13(15)7-10-16/h12-13H,2-11,15H2,1H3
InChIKeyNCPWPLBMEMTRKC-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
2-(4-aminopiperidin-1-yl)-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 79327730
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone (CID 79328192) is 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone is CC1CCCCCN1C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone?
The InChIKey is NCPWPLBMEMTRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-5-3-2-4-8-17(12)14(18)11-16-9-6-13(15)7-10-16/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone is sourced from PubChem (CID 79328192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).