3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride

C19H31Cl2N3O2 — CID 119830666

IUPAC3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)C1CCC(N)C1)N1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-24-18-7-3-2-6-16(18)17(22-10-4-5-11-22)13-21-19(23)14-8-9-15(20)12-14;;/h2-3,6-7,14-15,17H,4-5,8-13,20H2,1H3,(H,21,23);2*1H
InChIKeySQHBHUDWXYCPER-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119830666) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119830666
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC Name3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)C1CCC(N)C1)N1CCCC1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-24-18-7-3-2-6-16(18)17(22-10-4-5-11-22)13-21-19(23)14-8-9-15(20)12-14;;/h2-3,6-7,14-15,17H,4-5,8-13,20H2,1H3,(H,21,23);2*1H
InChIKeySQHBHUDWXYCPER-UHFFFAOYSA-N
XLogP2.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
(2S,4S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631303
trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 124778177
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119830716
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 95761647
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43044922
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119849317
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 78888436
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119830666) is 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride is COc1ccccc1C(CNC(=O)C1CCC(N)C1)N1CCCC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is SQHBHUDWXYCPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-24-18-7-3-2-6-16(18)17(22-10-4-5-11-22)13-21-19(23)14-8-9-15(20)12-14;;/h2-3,6-7,14-15,17H,4-5,8-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119830666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).