4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide

C19H30N4O2 — CID 113105903

IUPAC4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CCN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C19H30N4O2/c1-17(18-5-3-2-4-6-18)20-19(24)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h2-6,17H,7-16H2,1H3,(H,20,24)
InChIKeyXJUKMGFTEJNKAT-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.41
Rot. Bonds5

About 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide

4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 113105903) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID113105903
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CCN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C19H30N4O2/c1-17(18-5-3-2-4-6-18)20-19(24)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h2-6,17H,7-16H2,1H3,(H,20,24)
InChIKeyXJUKMGFTEJNKAT-UHFFFAOYSA-N
XLogP1.41
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109253182
2-[7-(carboxymethyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]-10-[2-[[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122380737
N-(1-phenylethyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108988776
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide (CID 113105903) is 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(CCN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is XJUKMGFTEJNKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-17(18-5-3-2-4-6-18)20-19(24)23-11-9-21(10-12-23)7-8-22-13-15-25-16-14-22/h2-6,17H,7-16H2,1H3,(H,20,24).
What are the key properties of 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide?
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).