N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide

C22H36N4O2 — CID 42954539

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
SMILESCCC(CC)C(CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C22H36N4O2/c1-3-19(4-2)21(25-14-16-28-17-15-25)18-23-22(27)26-12-10-24(11-13-26)20-8-6-5-7-9-20/h5-9,19,21H,3-4,10-18H2,1-2H3,(H,23,27)
InChIKeyCOEMPKOASKKYJZ-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.66
Rot. Bonds7

About N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 42954539) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
PubChem CID42954539
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
SMILESCCC(CC)C(CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C22H36N4O2/c1-3-19(4-2)21(25-14-16-28-17-15-25)18-23-22(27)26-12-10-24(11-13-26)20-8-6-5-7-9-20/h5-9,19,21H,3-4,10-18H2,1-2H3,(H,23,27)
InChIKeyCOEMPKOASKKYJZ-UHFFFAOYSA-N
XLogP2.66
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-1,4-thiazepane-4-carboxamide
CID 87003452
N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962068
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003458
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 30710024
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-oxoacetamide
CID 30710069
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide
CID 87003456
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55550446
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide (CID 42954539) is N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide is CCC(CC)C(CNC(=O)N1CCN(c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is COEMPKOASKKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-3-19(4-2)21(25-14-16-28-17-15-25)18-23-22(27)26-12-10-24(11-13-26)20-8-6-5-7-9-20/h5-9,19,21H,3-4,10-18H2,1-2H3,(H,23,27).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 42954539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).