ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate

C19H23N5O3 — CID 171678844

IUPACethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c1-2-27-19(26)23-16-6-4-15(5-7-16)22-17(25)14-8-12-24(13-9-14)18-20-10-3-11-21-18/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyWPMNKDXMHKRWAU-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.90
Rot. Bonds5

About ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate

ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate (PubChem CID 171678844) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
PubChem CID171678844
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nameethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c1-2-27-19(26)23-16-6-4-15(5-7-16)22-17(25)14-8-12-24(13-9-14)18-20-10-3-11-21-18/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyWPMNKDXMHKRWAU-UHFFFAOYSA-N
XLogP2.90
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-[4-(4-methylsulfonylphenoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75419257
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55758856
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
ethyl 5-phenyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 78884328
ethyl 4-cyclopropyl-2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 55755526
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-(4-methylphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107320

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate (CID 171678844) is ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate?
The InChIKey is WPMNKDXMHKRWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-27-19(26)23-16-6-4-15(5-7-16)22-17(25)14-8-12-24(13-9-14)18-20-10-3-11-21-18/h3-7,10-11,14H,2,8-9,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate?
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate has a molecular weight of 369.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 171678844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).