1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride

C19H29ClN2O2 — CID 119621849

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
SMILESCCOC(C(=O)N1CCC(NCC2CC2)CC1)c1ccccc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-2-23-18(16-6-4-3-5-7-16)19(22)21-12-10-17(11-13-21)20-14-15-8-9-15;/h3-7,15,17-18,20H,2,8-14H2,1H3;1H
InChIKeyJEOOQYIZRWXEDM-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.18
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride (PubChem CID 119621849) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
PubChem CID119621849
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
SMILESCCOC(C(=O)N1CCC(NCC2CC2)CC1)c1ccccc1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-2-23-18(16-6-4-3-5-7-16)19(22)21-12-10-17(11-13-21)20-14-15-8-9-15;/h3-7,15,17-18,20H,2,8-14H2,1H3;1H
InChIKeyJEOOQYIZRWXEDM-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
(2R)-1-[(3S)-3-aminopiperidin-1-yl]-2-ethoxy-2-phenylethanone
CID 124593206
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 120657713
1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 95582733
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
1-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 119623367
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride (CID 119621849) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride is CCOC(C(=O)N1CCC(NCC2CC2)CC1)c1ccccc1.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride?
The InChIKey is JEOOQYIZRWXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-2-23-18(16-6-4-3-5-7-16)19(22)21-12-10-17(11-13-21)20-14-15-8-9-15;/h3-7,15,17-18,20H,2,8-14H2,1H3;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119621849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).