N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide

C15H18FN3O2 — CID 107435078

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)N(Cc2cccc(F)c2)C2CC2)CN1
InChIInChI=1S/C15H18FN3O2/c16-11-3-1-2-10(6-11)9-19(12-4-5-12)15(21)13-7-18-14(20)8-17-13/h1-3,6,12-13,17H,4-5,7-9H2,(H,18,20)
InChIKeyHOHXRNVJKKSVTL-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.40
Rot. Bonds4

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435078) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435078
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)N(Cc2cccc(F)c2)C2CC2)CN1
InChIInChI=1S/C15H18FN3O2/c16-11-3-1-2-10(6-11)9-19(12-4-5-12)15(21)13-7-18-14(20)8-17-13/h1-3,6,12-13,17H,4-5,7-9H2,(H,18,20)
InChIKeyHOHXRNVJKKSVTL-UHFFFAOYSA-N
XLogP0.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
ethyl 2-[cyclopropyl-(5-oxopiperazine-2-carbonyl)amino]acetate
CID 107435393
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97011420
2-[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115580461

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide (CID 107435078) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)N(Cc2cccc(F)c2)C2CC2)CN1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is HOHXRNVJKKSVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-11-3-1-2-10(6-11)9-19(12-4-5-12)15(21)13-7-18-14(20)8-17-13/h1-3,6,12-13,17H,4-5,7-9H2,(H,18,20).
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).