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

C20H31N3O4 — CID 119897156

IUPACN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOc1cc(CN2CCC(NC(=O)C3(OC)CCNCC3)C2)cc(OC)c1
InChIInChI=1S/C20H31N3O4/c1-25-17-10-15(11-18(12-17)26-2)13-23-9-4-16(14-23)22-19(24)20(27-3)5-7-21-8-6-20/h10-12,16,21H,4-9,13-14H2,1-3H3,(H,22,24)
InChIKeyCVFYRGZCCDMAEX-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.16
Rot. Bonds7

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

N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119897156) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119897156
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOc1cc(CN2CCC(NC(=O)C3(OC)CCNCC3)C2)cc(OC)c1
InChIInChI=1S/C20H31N3O4/c1-25-17-10-15(11-18(12-17)26-2)13-23-9-4-16(14-23)22-19(24)20(27-3)5-7-21-8-6-20/h10-12,16,21H,4-9,13-14H2,1-3H3,(H,22,24)
InChIKeyCVFYRGZCCDMAEX-UHFFFAOYSA-N
XLogP1.16
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
2-(4-aminophenyl)-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119897115
4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119844595
1-[(3S)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-[(1S,2S)-2-methylcyclopropyl]urea
CID 124777389
4-amino-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]butanamide
CID 119897168
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 71921942
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]acetamide
CID 166301892
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 167940401
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
N-(4-hydroxycyclohexyl)-4-methoxypiperidine-4-carboxamide
CID 114284541

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide (CID 119897156) is N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide is COc1cc(CN2CCC(NC(=O)C3(OC)CCNCC3)C2)cc(OC)c1.
What is the InChIKey of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is CVFYRGZCCDMAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-25-17-10-15(11-18(12-17)26-2)13-23-9-4-16(14-23)22-19(24)20(27-3)5-7-21-8-6-20/h10-12,16,21H,4-9,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide?
N-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.16, 7 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)methyl]pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119897156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).