ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate

C21H25N3O3 — CID 77086895

IUPACethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3)ccnc2C)CC1
InChIInChI=1S/C21H25N3O3/c1-3-27-21(26)24-13-10-17(11-14-24)23-20(25)19-15(2)22-12-9-18(19)16-7-5-4-6-8-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyPOGZCTUUVHBFQW-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.41
Rot. Bonds4

About ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 77086895) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
PubChem CID77086895
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3)ccnc2C)CC1
InChIInChI=1S/C21H25N3O3/c1-3-27-21(26)24-13-10-17(11-14-24)23-20(25)19-15(2)22-12-9-18(19)16-7-5-4-6-8-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25)
InChIKeyPOGZCTUUVHBFQW-UHFFFAOYSA-N
XLogP3.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 163305949
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 109215840
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-[[3-(2-cyano-3-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 118772494
ethyl 4-[[5-(N-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194072
ethyl 4-[[3-(4-methylphenyl)cinnoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 46287929
ethyl 4-[[4-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109295773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate (CID 77086895) is ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2c(-c3ccccc3)ccnc2C)CC1.
What is the InChIKey of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is POGZCTUUVHBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-27-21(26)24-13-10-17(11-14-24)23-20(25)19-15(2)22-12-9-18(19)16-7-5-4-6-8-16/h4-9,12,17H,3,10-11,13-14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-4-phenylpyridine-3-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 77086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).