[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone

C16H29N3O2 — CID 172909026

IUPAC[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
SMILESNCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H29N3O2/c17-7-9-19(14-5-10-21-11-6-14)15-2-1-8-18(12-15)16(20)13-3-4-13/h13-15H,1-12,17H2
InChIKeyALJLEPAHGYKPFW-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds5

About [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone

[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 172909026) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID172909026
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
SMILESNCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H29N3O2/c17-7-9-19(14-5-10-21-11-6-14)15-2-1-8-18(12-15)16(20)13-3-4-13/h13-15H,1-12,17H2
InChIKeyALJLEPAHGYKPFW-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
CID 110197170
cyclopentyl-[3-[ethyl(oxan-4-yl)amino]azetidin-1-yl]methanone
CID 110197173
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone
CID 66565543
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
N-(2-aminoethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 102874273
methyl 1-(oxane-4-carbonyl)piperidine-3-carboxylate
CID 78919120

Frequently Asked Questions

What is the IUPAC name of [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone (CID 172909026) is [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone is NCCN(C1CCOCC1)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is ALJLEPAHGYKPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-7-9-19(14-5-10-21-11-6-14)15-2-1-8-18(12-15)16(20)13-3-4-13/h13-15H,1-12,17H2.
What are the key properties of [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone?
[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 295.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 172909026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).