1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide

C20H35N3O2 — CID 648462

IUPAC1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C20H35N3O2/c24-19(21-14-16-8-3-1-4-9-16)17-10-7-13-23(15-17)20(25)22-18-11-5-2-6-12-18/h16-18H,1-15H2,(H,21,24)(H,22,25)
InChIKeyDFMBEFSWAYJZMQ-UHFFFAOYSA-N
MW349.52 g/mol
LogP3.44
Rot. Bonds4

About 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide

1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 648462) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
PubChem CID648462
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCC1CCCCC1)C1CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C20H35N3O2/c24-19(21-14-16-8-3-1-4-9-16)17-10-7-13-23(15-17)20(25)22-18-11-5-2-6-12-18/h16-18H,1-15H2,(H,21,24)(H,22,25)
InChIKeyDFMBEFSWAYJZMQ-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide (CID 648462) is 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide is O=C(NCC1CCCCC1)C1CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is DFMBEFSWAYJZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c24-19(21-14-16-8-3-1-4-9-16)17-10-7-13-23(15-17)20(25)22-18-11-5-2-6-12-18/h16-18H,1-15H2,(H,21,24)(H,22,25).
What are the key properties of 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide?
1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 648462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).