(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride

C19H29ClN2O — CID 155820492

IUPAC(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
SMILESCCC1CN(C(=O)C2(Cc3ccccc3)CCC2)CCC1N.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-16-14-21(12-9-17(16)20)18(22)19(10-6-11-19)13-15-7-4-3-5-8-15;/h3-5,7-8,16-17H,2,6,9-14,20H2,1H3;1H
InChIKeyZEKSYLUNLFKQQC-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.41
Rot. Bonds4

About (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride

(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride (PubChem CID 155820492) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
PubChem CID155820492
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
SMILESCCC1CN(C(=O)C2(Cc3ccccc3)CCC2)CCC1N.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-16-14-21(12-9-17(16)20)18(22)19(10-6-11-19)13-15-7-4-3-5-8-15;/h3-5,7-8,16-17H,2,6,9-14,20H2,1H3;1H
InChIKeyZEKSYLUNLFKQQC-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 120742867
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71854094
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride (CID 155820492) is (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride is CCC1CN(C(=O)C2(Cc3ccccc3)CCC2)CCC1N.Cl.
What is the InChIKey of (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride?
The InChIKey is ZEKSYLUNLFKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-16-14-21(12-9-17(16)20)18(22)19(10-6-11-19)13-15-7-4-3-5-8-15;/h3-5,7-8,16-17H,2,6,9-14,20H2,1H3;1H.
What are the key properties of (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride?
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 155820492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).