N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

C21H23FN4O2 — CID 55697273

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1
InChIInChI=1S/C21H23FN4O2/c22-16-6-8-19(9-7-16)25-10-12-26(13-11-25)21(28)24-18-3-1-2-17(14-18)23-20(27)15-4-5-15/h1-3,6-9,14-15H,4-5,10-13H2,(H,23,27)(H,24,28)
InChIKeyJRIBKCNDRUXATQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.53
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 55697273) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID55697273
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1
InChIInChI=1S/C21H23FN4O2/c22-16-6-8-19(9-7-16)25-10-12-26(13-11-25)21(28)24-18-3-1-2-17(14-18)23-20(27)15-4-5-15/h1-3,6-9,14-15H,4-5,10-13H2,(H,23,27)(H,24,28)
InChIKeyJRIBKCNDRUXATQ-UHFFFAOYSA-N
XLogP3.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55819910
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111046891
N-[3-[[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111165653
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 46689860
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076685
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
4-(3-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113114501
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 55697273) is N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1cccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is JRIBKCNDRUXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-16-6-8-19(9-7-16)25-10-12-26(13-11-25)21(28)24-18-3-1-2-17(14-18)23-20(27)15-4-5-15/h1-3,6-9,14-15H,4-5,10-13H2,(H,23,27)(H,24,28).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55697273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).