N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C19H31Cl2N3O4 — CID 119899376

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3(OC)CCNCC3)C2)c1.Cl.Cl
InChIInChI=1S/C19H29N3O4.2ClH/c1-24-16-10-15(11-17(12-16)25-2)22-9-4-14(13-22)21-18(23)19(26-3)5-7-20-8-6-19;;/h10-12,14,20H,4-9,13H2,1-3H3,(H,21,23);2*1H
InChIKeyPAUAKZLASCHYRJ-UHFFFAOYSA-N
MW436.38 g/mol
LogP2.01
Rot. Bonds6

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119899376) has the molecular formula C19H31Cl2N3O4 and a molecular weight of 436.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119899376
Molecular FormulaC19H31Cl2N3O4
Molecular Weight436.38 g/mol
Exact Mass435.17
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3(OC)CCNCC3)C2)c1.Cl.Cl
InChIInChI=1S/C19H29N3O4.2ClH/c1-24-16-10-15(11-17(12-16)25-2)22-9-4-14(13-22)21-18(23)19(26-3)5-7-20-8-6-19;;/h10-12,14,20H,4-9,13H2,1-3H3,(H,21,23);2*1H
InChIKeyPAUAKZLASCHYRJ-UHFFFAOYSA-N
XLogP2.01
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
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CID 91644359
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119862948
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120942736
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 71863545
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119899376) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COc1cc(OC)cc(N2CCC(NC(=O)C3(OC)CCNCC3)C2)c1.Cl.Cl.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is PAUAKZLASCHYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4.2ClH/c1-24-16-10-15(11-17(12-16)25-2)22-9-4-14(13-22)21-18(23)19(26-3)5-7-20-8-6-19;;/h10-12,14,20H,4-9,13H2,1-3H3,(H,21,23);2*1H.
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 436.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119899376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).