4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C19H27N3O3 — CID 91921338

IUPAC4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-20-19(24)21-10-7-14(8-11-21)16-9-12-22(13-16)18(23)15-3-5-17(25-2)6-4-15/h3-6,14,16H,7-13H2,1-2H3,(H,20,24)
InChIKeyXDQUTILEYZKOJA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.21
Rot. Bonds3

About 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91921338) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91921338
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)c3ccc(OC)cc3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-20-19(24)21-10-7-14(8-11-21)16-9-12-22(13-16)18(23)15-3-5-17(25-2)6-4-15/h3-6,14,16H,7-13H2,1-2H3,(H,20,24)
InChIKeyXDQUTILEYZKOJA-UHFFFAOYSA-N
XLogP2.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910191
4-[1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921363
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
N-(cyclopropylmethyl)-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23938280
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91921344
methyl 4-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952
4-[1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91916509
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91921338) is 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)c3ccc(OC)cc3)C2)CC1.
What is the InChIKey of 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is XDQUTILEYZKOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-20-19(24)21-10-7-14(8-11-21)16-9-12-22(13-16)18(23)15-3-5-17(25-2)6-4-15/h3-6,14,16H,7-13H2,1-2H3,(H,20,24).
What are the key properties of 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91921338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).