1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone

C14H27N3O — CID 145317122

IUPAC1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCC1(CNC2CCN(C(=O)CNC)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-3-14(6-7-14)11-16-12-4-8-17(9-5-12)13(18)10-15-2/h12,15-16H,3-11H2,1-2H3
InChIKeyJGJVQKICNZVDLF-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds6

About 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone

1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 145317122) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID145317122
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCC1(CNC2CCN(C(=O)CNC)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-3-14(6-7-14)11-16-12-4-8-17(9-5-12)13(18)10-15-2/h12,15-16H,3-11H2,1-2H3
InChIKeyJGJVQKICNZVDLF-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]butanamide
CID 54871655
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
1-[4-[[1-(hydroxymethyl)cyclopentyl]methylamino]piperidin-1-yl]ethanone
CID 113293617
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
(1-ethylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119564125

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone (CID 145317122) is 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone is CCC1(CNC2CCN(C(=O)CNC)CC2)CC1.
What is the InChIKey of 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is JGJVQKICNZVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-14(6-7-14)11-16-12-4-8-17(9-5-12)13(18)10-15-2/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 253.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylcyclopropyl)methylamino]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 145317122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).