2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone

C18H33N3O — CID 119926286

IUPAC2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H33N3O/c1-2-17-5-3-4-10-21(17)18(22)14-20-11-8-16(9-12-20)19-13-15-6-7-15/h15-17,19H,2-14H2,1H3
InChIKeyFPJWEOWYGPKXQK-UHFFFAOYSA-N
MW307.48 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone

2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 119926286) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID119926286
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H33N3O/c1-2-17-5-3-4-10-21(17)18(22)14-20-11-8-16(9-12-20)19-13-15-6-7-15/h15-17,19H,2-14H2,1H3
InChIKeyFPJWEOWYGPKXQK-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933610
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119917745
1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114681192
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 55028926
2-(3,5-dimethylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 63872741
N-cyclopentyl-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119926446
1-[1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]imidazolidin-2-one
CID 94424214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone (CID 119926286) is 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CN1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is FPJWEOWYGPKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-2-17-5-3-4-10-21(17)18(22)14-20-11-8-16(9-12-20)19-13-15-6-7-15/h15-17,19H,2-14H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone?
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 307.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119926286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).