N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C21H27ClN6O2 — CID 75400112

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCC(c2nncn2C2CC2)C1
InChIInChI=1S/C21H27ClN6O2/c22-16-3-6-19(26-8-10-30-11-9-26)18(12-16)24-21(29)27-7-1-2-15(13-27)20-25-23-14-28(20)17-4-5-17/h3,6,12,14-15,17H,1-2,4-5,7-11,13H2,(H,24,29)
InChIKeyBSUDJYLNLBIUDX-UHFFFAOYSA-N
MW430.94 g/mol
LogP3.51
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 75400112) has the molecular formula C21H27ClN6O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID75400112
Molecular FormulaC21H27ClN6O2
Molecular Weight430.94 g/mol
Exact Mass430.19
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCC(c2nncn2C2CC2)C1
InChIInChI=1S/C21H27ClN6O2/c22-16-3-6-19(26-8-10-30-11-9-26)18(12-16)24-21(29)27-7-1-2-15(13-27)20-25-23-14-28(20)17-4-5-17/h3,6,12,14-15,17H,1-2,4-5,7-11,13H2,(H,24,29)
InChIKeyBSUDJYLNLBIUDX-UHFFFAOYSA-N
XLogP3.51
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136129
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127
(3R)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-thiophen-3-ylpiperidine-1-carboxamide
CID 97349966
(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51955137
N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 55702129
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
CID 95291147
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2-ethylpyrimidin-5-yl)piperidine-1-carboxamide
CID 75502081
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 75400112) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)N1CCCC(c2nncn2C2CC2)C1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is BSUDJYLNLBIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6O2/c22-16-3-6-19(26-8-10-30-11-9-26)18(12-16)24-21(29)27-7-1-2-15(13-27)20-25-23-14-28(20)17-4-5-17/h3,6,12,14-15,17H,1-2,4-5,7-11,13H2,(H,24,29).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75400112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).