3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C22H34N4O2 — CID 119620174

IUPAC3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H34N4O2/c27-21(24-15-14-23-19-10-4-1-2-5-11-19)18-9-8-16-26(17-18)22(28)25-20-12-6-3-7-13-20/h3,6-7,12-13,18-19,23H,1-2,4-5,8-11,14-17H2,(H,24,27)(H,25,28)
InChIKeyHXIRVZCKHVNXRH-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.36
Rot. Bonds6

About 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 119620174) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID119620174
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(NCCNC1CCCCCC1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H34N4O2/c27-21(24-15-14-23-19-10-4-1-2-5-11-19)18-9-8-16-26(17-18)22(28)25-20-12-6-3-7-13-20/h3,6-7,12-13,18-19,23H,1-2,4-5,8-11,14-17H2,(H,24,27)(H,25,28)
InChIKeyHXIRVZCKHVNXRH-UHFFFAOYSA-N
XLogP3.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
(3R)-3-N-[2-(4-methylphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9088747
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 119620174) is 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(NCCNC1CCCCCC1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is HXIRVZCKHVNXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c27-21(24-15-14-23-19-10-4-1-2-5-11-19)18-9-8-16-26(17-18)22(28)25-20-12-6-3-7-13-20/h3,6-7,12-13,18-19,23H,1-2,4-5,8-11,14-17H2,(H,24,27)(H,25,28).
What are the key properties of 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 119620174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).