(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide

C23H29N3O5 — CID 8532806

IUPAC(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H29N3O5/c1-29-19-13-21(31-3)20(30-2)12-17(19)14-24-22(27)16-8-7-11-26(15-16)23(28)25-18-9-5-4-6-10-18/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,24,27)(H,25,28)/t16-/m1/s1
InChIKeyCAUJTZVCNRVDMI-MRXNPFEDSA-N
MW427.50 g/mol
LogP3.27
Rot. Bonds7

About (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide

(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 8532806) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID8532806
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H29N3O5/c1-29-19-13-21(31-3)20(30-2)12-17(19)14-24-22(27)16-8-7-11-26(15-16)23(28)25-18-9-5-4-6-10-18/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,24,27)(H,25,28)/t16-/m1/s1
InChIKeyCAUJTZVCNRVDMI-MRXNPFEDSA-N
XLogP3.27
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51552826
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9074260
3-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55708296
(3R)-3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9084986
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide (CID 8532806) is (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide is COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is CAUJTZVCNRVDMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-29-19-13-21(31-3)20(30-2)12-17(19)14-24-22(27)16-8-7-11-26(15-16)23(28)25-18-9-5-4-6-10-18/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3,(H,24,27)(H,25,28)/t16-/m1/s1.
What are the key properties of (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 427.50 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 8532806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).