N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H21N5O2 — CID 27516864

IUPACN-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-5-3-14(4-6-15)13-20-17(23)22-11-9-21(10-12-22)16-18-7-2-8-19-16/h2-8H,9-13H2,1H3,(H,20,23)
InChIKeyZHADBNFIEUIOSJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.52
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 27516864) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID27516864
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C17H21N5O2/c1-24-15-5-3-14(4-6-15)13-20-17(23)22-11-9-21(10-12-22)16-18-7-2-8-19-16/h2-8H,9-13H2,1H3,(H,20,23)
InChIKeyZHADBNFIEUIOSJ-UHFFFAOYSA-N
XLogP1.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71934378
N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136547
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 17495098
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 46486397
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109302990
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108840880
N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084660

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 27516864) is N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is ZHADBNFIEUIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-5-3-14(4-6-15)13-20-17(23)22-11-9-21(10-12-22)16-18-7-2-8-19-16/h2-8H,9-13H2,1H3,(H,20,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 27516864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).