N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide

C20H32N4O2 — CID 113110823

IUPACN-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-2-3-6-9-22-10-12-24(13-11-22)20(25)21-18-7-4-5-8-19(18)23-14-16-26-17-15-23/h4-5,7-8H,2-3,6,9-17H2,1H3,(H,21,25)
InChIKeyYGLYKYQVRDPACH-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.86
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide

N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide (PubChem CID 113110823) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
PubChem CID113110823
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
SMILESCCCCCN1CCN(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C20H32N4O2/c1-2-3-6-9-22-10-12-24(13-11-22)20(25)21-18-7-4-5-8-19(18)23-14-16-26-17-15-23/h4-5,7-8H,2-3,6,9-17H2,1H3,(H,21,25)
InChIKeyYGLYKYQVRDPACH-UHFFFAOYSA-N
XLogP2.86
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113105000
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
N-(2-ethylsulfanylphenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 74246994
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
4-butyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185767
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
2-[acetyl(pentyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113166804
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
3-N-(2-morpholin-4-ylphenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056323

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide (CID 113110823) is N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide is CCCCCN1CCN(C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide?
The InChIKey is YGLYKYQVRDPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-2-3-6-9-22-10-12-24(13-11-22)20(25)21-18-7-4-5-8-19(18)23-14-16-26-17-15-23/h4-5,7-8H,2-3,6,9-17H2,1H3,(H,21,25).
What are the key properties of N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide?
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide is sourced from PubChem (CID 113110823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).