1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

C25H33N5O3 — CID 55837891

IUPAC1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1
InChIInChI=1S/C25H33N5O3/c1-4-29(5-2)25(33)30-15-13-19(14-16-30)23(31)28-22-17-21(12-11-18(22)3)27-24(32)26-20-9-7-6-8-10-20/h6-12,17,19H,4-5,13-16H2,1-3H3,(H,28,31)(H2,26,27,32)
InChIKeyUKIIBWDIOHDIQP-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.75
Rot. Bonds6

About 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 55837891) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
PubChem CID55837891
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1
InChIInChI=1S/C25H33N5O3/c1-4-29(5-2)25(33)30-15-13-19(14-16-30)23(31)28-22-17-21(12-11-18(22)3)27-24(32)26-20-9-7-6-8-10-20/h6-12,17,19H,4-5,13-16H2,1-3H3,(H,28,31)(H2,26,27,32)
InChIKeyUKIIBWDIOHDIQP-UHFFFAOYSA-N
XLogP4.75
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (CID 55837891) is 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is UKIIBWDIOHDIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-4-29(5-2)25(33)30-15-13-19(14-16-30)23(31)28-22-17-21(12-11-18(22)3)27-24(32)26-20-9-7-6-8-10-20/h6-12,17,19H,4-5,13-16H2,1-3H3,(H,28,31)(H2,26,27,32).
What are the key properties of 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 55837891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).