N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H20ClN5O2 — CID 108979011

IUPACN-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C19H20ClN5O2/c20-14-2-4-15(5-3-14)23-16(26)19(6-7-19)17(27)24-10-12-25(13-11-24)18-21-8-1-9-22-18/h1-5,8-9H,6-7,10-13H2,(H,23,26)
InChIKeyZBVHNGRONFDHDC-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.20
Rot. Bonds4

About N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108979011) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108979011
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(C(=O)N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C19H20ClN5O2/c20-14-2-4-15(5-3-14)23-16(26)19(6-7-19)17(27)24-10-12-25(13-11-24)18-21-8-1-9-22-18/h1-5,8-9H,6-7,10-13H2,(H,23,26)
InChIKeyZBVHNGRONFDHDC-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-ylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979005
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
N-(2,4-dimethylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978994
N-(4-chlorophenyl)-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965652
N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975381
N-(4-chloro-2-methylphenyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978954
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]amino]acetamide
CID 8816059
N-[2-(4-fluorophenyl)ethyl]-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108977459
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108979011) is N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1(C(=O)N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is ZBVHNGRONFDHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c20-14-2-4-15(5-3-14)23-16(26)19(6-7-19)17(27)24-10-12-25(13-11-24)18-21-8-1-9-22-18/h1-5,8-9H,6-7,10-13H2,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108979011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).