3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide

C21H31N3O4 — CID 53011193

IUPAC3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C21H31N3O4/c1-21(19(25)22-13-16-6-3-7-17(12-16)27-2)9-5-10-24(15-21)20(26)23-14-18-8-4-11-28-18/h3,6-7,12,18H,4-5,8-11,13-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBYTHXFVTQVQUTL-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.30
Rot. Bonds6

About 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide

3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 53011193) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID53011193
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)NCC3CCCO3)C2)c1
InChIInChI=1S/C21H31N3O4/c1-21(19(25)22-13-16-6-3-7-17(12-16)27-2)9-5-10-24(15-21)20(26)23-14-18-8-4-11-28-18/h3,6-7,12,18H,4-5,8-11,13-15H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBYTHXFVTQVQUTL-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
(3R)-3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95087786
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
CID 53117270
1-(5-bromofuran-2-carbonyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117062
(3R)-1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087420
1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117073
N-[(3-methoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 53117074
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087413
(3S)-1-(2-chlorobenzoyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087455
1-N-(5-chloro-2-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 53117267
(3R)-N-[(3-methoxyphenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 95087458

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide (CID 53011193) is 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide is COc1cccc(CNC(=O)C2(C)CCCN(C(=O)NCC3CCCO3)C2)c1.
What is the InChIKey of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is BYTHXFVTQVQUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-21(19(25)22-13-16-6-3-7-17(12-16)27-2)9-5-10-24(15-21)20(26)23-14-18-8-4-11-28-18/h3,6-7,12,18H,4-5,8-11,13-15H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide?
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 53011193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).