N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide

C21H27N5O3 — CID 136542763

IUPACN-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide
SMILESCCN(C)C(=O)c1cccc(NC(=O)N2CCN(c3ccncc3OC)CC2)c1
InChIInChI=1S/C21H27N5O3/c1-4-24(2)20(27)16-6-5-7-17(14-16)23-21(28)26-12-10-25(11-13-26)18-8-9-22-15-19(18)29-3/h5-9,14-15H,4,10-13H2,1-3H3,(H,23,28)
InChIKeyATJGIDIPIPKOKE-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.54
Rot. Bonds5

About N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide

N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide (PubChem CID 136542763) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide
PubChem CID136542763
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide
SMILESCCN(C)C(=O)c1cccc(NC(=O)N2CCN(c3ccncc3OC)CC2)c1
InChIInChI=1S/C21H27N5O3/c1-4-24(2)20(27)16-6-5-7-17(14-16)23-21(28)26-12-10-25(11-13-26)18-8-9-22-15-19(18)29-3/h5-9,14-15H,4,10-13H2,1-3H3,(H,23,28)
InChIKeyATJGIDIPIPKOKE-UHFFFAOYSA-N
XLogP2.54
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(2,4-dimethoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4585188
4-[4-(3-methoxy-4-pyridinyl)piperazine-1-carbonyl]-N-[(3-methylphenyl)methyl]benzamide
CID 167803049
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
4-(2-methoxyphenyl)-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 110492522
4-(2,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108600
N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]-2-oxoacetamide
CID 146128216
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122335422
4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11112014
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide (CID 136542763) is N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide is CCN(C)C(=O)c1cccc(NC(=O)N2CCN(c3ccncc3OC)CC2)c1.
What is the InChIKey of N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide?
The InChIKey is ATJGIDIPIPKOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-4-24(2)20(27)16-6-5-7-17(14-16)23-21(28)26-12-10-25(11-13-26)18-8-9-22-15-19(18)29-3/h5-9,14-15H,4,10-13H2,1-3H3,(H,23,28).
What are the key properties of N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide?
N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)carbamoyl]phenyl]-4-(3-methoxy-4-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 136542763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).