(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide

C18H25N5O2 — CID 124977181

IUPAC(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN[C@@H](C(=O)NCCn3ccc(C)n3)C2)cc1
InChIInChI=1S/C18H25N5O2/c1-14-7-10-23(21-14)12-9-20-18(24)17-13-22(11-8-19-17)15-3-5-16(25-2)6-4-15/h3-7,10,17,19H,8-9,11-13H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyLKOZPGZWQSVNOU-QGZVFWFLSA-N
MW343.43 g/mol
LogP0.79
Rot. Bonds6

About (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide

(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide (PubChem CID 124977181) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
PubChem CID124977181
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide
SMILESCOc1ccc(N2CCN[C@@H](C(=O)NCCn3ccc(C)n3)C2)cc1
InChIInChI=1S/C18H25N5O2/c1-14-7-10-23(21-14)12-9-20-18(24)17-13-22(11-8-19-17)15-3-5-16(25-2)6-4-15/h3-7,10,17,19H,8-9,11-13H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyLKOZPGZWQSVNOU-QGZVFWFLSA-N
XLogP0.79
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
4-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 110086699
(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 125018385
N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
(2R)-N-(2-methoxyphenyl)-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124984923
(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
CID 124983561
4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
CID 127244523
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 110086674
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-2-carboxamide
CID 119302636
N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
CID 19323903

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide (CID 124977181) is (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide is COc1ccc(N2CCN[C@@H](C(=O)NCCn3ccc(C)n3)C2)cc1.
What is the InChIKey of (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is LKOZPGZWQSVNOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-7-10-23(21-14)12-9-20-18(24)17-13-22(11-8-19-17)15-3-5-16(25-2)6-4-15/h3-7,10,17,19H,8-9,11-13H2,1-2H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide?
(2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxyphenyl)-N-[2-(3-methylpyrazol-1-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 124977181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).