3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C17H26N4O2 — CID 119431536

IUPAC3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCNCCCNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H26N4O2/c1-18-10-6-11-19-16(22)14-7-5-12-21(13-14)17(23)20-15-8-3-2-4-9-15/h2-4,8-9,14,18H,5-7,10-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyTUDYNDSFIOFONY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.66
Rot. Bonds6

About 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 119431536) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID119431536
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCNCCCNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H26N4O2/c1-18-10-6-11-19-16(22)14-7-5-12-21(13-14)17(23)20-15-8-3-2-4-9-15/h2-4,8-9,14,18H,5-7,10-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyTUDYNDSFIOFONY-UHFFFAOYSA-N
XLogP1.66
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.66
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

(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
(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-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(3R)-N-(3-anilinopropyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 95307693
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 119431536) is 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CNCCCNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is TUDYNDSFIOFONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-18-10-6-11-19-16(22)14-7-5-12-21(13-14)17(23)20-15-8-3-2-4-9-15/h2-4,8-9,14,18H,5-7,10-13H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 119431536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).