3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide

C21H29N5O2 — CID 166188808

IUPAC3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(c2ncc[nH]2)C1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H29N5O2/c1-16(17-4-6-19(7-5-17)25-11-13-28-14-12-25)24-21(27)26-10-2-3-18(15-26)20-22-8-9-23-20/h4-9,16,18H,2-3,10-15H2,1H3,(H,22,23)(H,24,27)
InChIKeyZSASKLXINAAGKJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.90
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide

3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 166188808) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID166188808
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC(c2ncc[nH]2)C1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H29N5O2/c1-16(17-4-6-19(7-5-17)25-11-13-28-14-12-25)24-21(27)26-10-2-3-18(15-26)20-22-8-9-23-20/h4-9,16,18H,2-3,10-15H2,1H3,(H,22,23)(H,24,27)
InChIKeyZSASKLXINAAGKJ-UHFFFAOYSA-N
XLogP2.90
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 127345387
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939716
(3S)-N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95967272
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967517
(3R)-N-(2-cyclopentylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212512
(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 95968956
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97318687
3-(1H-imidazol-2-yl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-1-carboxamide
CID 75422963

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide (CID 166188808) is 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCCC(c2ncc[nH]2)C1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is ZSASKLXINAAGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16(17-4-6-19(7-5-17)25-11-13-28-14-12-25)24-21(27)26-10-2-3-18(15-26)20-22-8-9-23-20/h4-9,16,18H,2-3,10-15H2,1H3,(H,22,23)(H,24,27).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide?
3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 166188808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).