4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide

C19H24N4O2 — CID 110086699

IUPAC4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCNC(C(=O)NCCc3ccccn3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-17-7-5-16(6-8-17)23-13-12-21-18(14-23)19(24)22-11-9-15-4-2-3-10-20-15/h2-8,10,18,21H,9,11-14H2,1H3,(H,22,24)
InChIKeyPQQHVWIACJWOQJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.23
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide

4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide (PubChem CID 110086699) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
PubChem CID110086699
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
SMILESCOc1ccc(N2CCNC(C(=O)NCCc3ccccn3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-17-7-5-16(6-8-17)23-13-12-21-18(14-23)19(24)22-11-9-15-4-2-3-10-20-15/h2-8,10,18,21H,9,11-14H2,1H3,(H,22,24)
InChIKeyPQQHVWIACJWOQJ-UHFFFAOYSA-N
XLogP1.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086678
(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
CID 124977181
(2R)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124984923
(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 125018385
N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
(4aS,5R)-3-(4-fluorophenyl)-9-methoxy-N-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119605
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
N-(pyridin-2-ylmethyl)-4-quinoxalin-2-ylpiperazine-2-carboxamide
CID 56886592
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide (CID 110086699) is 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide is COc1ccc(N2CCNC(C(=O)NCCc3ccccn3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide?
The InChIKey is PQQHVWIACJWOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-7-5-16(6-8-17)23-13-12-21-18(14-23)19(24)22-11-9-15-4-2-3-10-20-15/h2-8,10,18,21H,9,11-14H2,1H3,(H,22,24).
What are the key properties of 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide?
4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).