(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119870988

IUPAC(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCOc1cccc(N2CCC(CNC(=O)[C@H]3CCCCN3)C2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-23-16-6-4-5-15(11-16)21-10-8-14(13-21)12-20-18(22)17-7-2-3-9-19-17;;/h4-6,11,14,17,19H,2-3,7-10,12-13H2,1H3,(H,20,22);2*1H/t14?,17-;;/m1../s1
InChIKeyASLFWSDVDCLTRS-KEQAEWIKSA-N
MW390.36 g/mol
LogP2.62
Rot. Bonds5

About (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119870988) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119870988
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCOc1cccc(N2CCC(CNC(=O)[C@H]3CCCCN3)C2)c1.Cl.Cl
InChIInChI=1S/C18H27N3O2.2ClH/c1-23-16-6-4-5-15(11-16)21-10-8-14(13-21)12-20-18(22)17-7-2-3-9-19-17;;/h4-6,11,14,17,19H,2-3,7-10,12-13H2,1H3,(H,20,22);2*1H/t14?,17-;;/m1../s1
InChIKeyASLFWSDVDCLTRS-KEQAEWIKSA-N
XLogP2.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 122081483
N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860652
1-amino-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119871042
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 119871026
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 119871027
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride (CID 119870988) is (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride is COc1cccc(N2CCC(CNC(=O)[C@H]3CCCCN3)C2)c1.Cl.Cl.
What is the InChIKey of (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is ASLFWSDVDCLTRS-KEQAEWIKSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c1-23-16-6-4-5-15(11-16)21-10-8-14(13-21)12-20-18(22)17-7-2-3-9-19-17;;/h4-6,11,14,17,19H,2-3,7-10,12-13H2,1H3,(H,20,22);2*1H/t14?,17-;;/m1../s1.
What are the key properties of (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119870988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).