3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C23H36N4O2 — CID 60568645

IUPAC3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC1CCCN(C(C)(C)CNC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)C1
InChIInChI=1S/C23H36N4O2/c1-18-9-7-14-27(15-18)23(2,3)17-24-21(28)19-10-8-13-26(16-19)22(29)25-20-11-5-4-6-12-20/h4-6,11-12,18-19H,7-10,13-17H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyVPMNOJXIHKJYEA-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.56
Rot. Bonds5

About 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 60568645) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID60568645
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC1CCCN(C(C)(C)CNC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)C1
InChIInChI=1S/C23H36N4O2/c1-18-9-7-14-27(15-18)23(2,3)17-24-21(28)19-10-8-13-26(16-19)22(29)25-20-11-5-4-6-12-20/h4-6,11-12,18-19H,7-10,13-17H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyVPMNOJXIHKJYEA-UHFFFAOYSA-N
XLogP3.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
CID 60569016
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
3-N-(1,1-diphenylethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 56523677
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 60568645) is 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CC1CCCN(C(C)(C)CNC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)C1.
What is the InChIKey of 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is VPMNOJXIHKJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-18-9-7-14-27(15-18)23(2,3)17-24-21(28)19-10-8-13-26(16-19)22(29)25-20-11-5-4-6-12-20/h4-6,11-12,18-19H,7-10,13-17H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 400.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60568645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).