(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide

C22H27N3O4 — CID 51508259

IUPAC(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-19-9-5-16(6-10-19)14-23-21(26)17-4-3-13-25(15-17)22(27)24-18-7-11-20(29-2)12-8-18/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyYHPZQZCTOCHSQZ-KRWDZBQOSA-N
MW397.48 g/mol
LogP3.26
Rot. Bonds6

About (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide

(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 51508259) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID51508259
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C22H27N3O4/c1-28-19-9-5-16(6-10-19)14-23-21(26)17-4-3-13-25(15-17)22(27)24-18-7-11-20(29-2)12-8-18/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyYHPZQZCTOCHSQZ-KRWDZBQOSA-N
XLogP3.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51552826
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide (CID 51508259) is (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide is COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)Nc3ccc(OC)cc3)C2)cc1.
What is the InChIKey of (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is YHPZQZCTOCHSQZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-19-9-5-16(6-10-19)14-23-21(26)17-4-3-13-25(15-17)22(27)24-18-7-11-20(29-2)12-8-18/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m0/s1.
What are the key properties of (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51508259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).