N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

C22H23N5O — CID 108990448

IUPACN-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(N1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N5O/c28-22(26-16-14-25(15-17-26)21-23-12-7-13-24-21)27(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-13H,14-18H2
InChIKeyCZMCWJJABWYJRX-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.43
Rot. Bonds4

About N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 108990448) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID108990448
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(N1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N5O/c28-22(26-16-14-25(15-17-26)21-23-12-7-13-24-21)27(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-13H,14-18H2
InChIKeyCZMCWJJABWYJRX-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-oxo-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108528253
(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylacetamide
CID 113167136
2-(azepan-1-yl)-N-benzyl-N-phenylpyrimidine-5-carboxamide
CID 109265025
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
benzyl N-[(2R)-3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]carbamate
CID 51641910
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide;methyl 4-[(N-(4-pyridin-2-ylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 158212504
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 167638373
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 108990448) is N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(N1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is CZMCWJJABWYJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(26-16-14-25(15-17-26)21-23-12-7-13-24-21)27(20-10-5-2-6-11-20)18-19-8-3-1-4-9-19/h1-13H,14-18H2.
What are the key properties of N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108990448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).