N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide

C25H28ClN5O2 — CID 11155538

IUPACN-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(-c3nnc(C4(c5ccccc5)CC4)n3C)c(Cl)c2)CC1
InChIInChI=1S/C25H28ClN5O2/c1-30-22(28-29-23(30)25(12-13-25)17-6-4-3-5-7-17)20-9-8-18(16-21(20)26)27-24(32)31-14-10-19(33-2)11-15-31/h3-9,16,19H,10-15H2,1-2H3,(H,27,32)
InChIKeyGLRWIGYAWHOKTN-UHFFFAOYSA-N
MW465.99 g/mol
LogP4.86
Rot. Bonds5

About N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide

N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide (PubChem CID 11155538) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide
PubChem CID11155538
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)Nc2ccc(-c3nnc(C4(c5ccccc5)CC4)n3C)c(Cl)c2)CC1
InChIInChI=1S/C25H28ClN5O2/c1-30-22(28-29-23(30)25(12-13-25)17-6-4-3-5-7-17)20-9-8-18(16-21(20)26)27-24(32)31-14-10-19(33-2)11-15-31/h3-9,16,19H,10-15H2,1-2H3,(H,27,32)
InChIKeyGLRWIGYAWHOKTN-UHFFFAOYSA-N
XLogP4.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide with MolForge

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Related Compounds

methyl 1-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]piperidine-4-carboxylate
CID 59216060
4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
CID 59216026
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-1-carboxamide
CID 48643522
1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
CID 162332726
4-methoxy-N-[3-(2-methyltetrazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118764405
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162726
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide (CID 11155538) is N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)Nc2ccc(-c3nnc(C4(c5ccccc5)CC4)n3C)c(Cl)c2)CC1.
What is the InChIKey of N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is GLRWIGYAWHOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-30-22(28-29-23(30)25(12-13-25)17-6-4-3-5-7-17)20-9-8-18(16-21(20)26)27-24(32)31-14-10-19(33-2)11-15-31/h3-9,16,19H,10-15H2,1-2H3,(H,27,32).
What are the key properties of N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide?
N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 11155538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).