N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide

C15H22FN3O — CID 110469745

IUPACN-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-15(2,12-4-6-13(16)7-5-12)17-14(20)19-10-8-18(3)9-11-19/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyUWDZSDCHAJGXBB-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.02
Rot. Bonds2

About N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide

N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 110469745) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
PubChem CID110469745
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-15(2,12-4-6-13(16)7-5-12)17-14(20)19-10-8-18(3)9-11-19/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyUWDZSDCHAJGXBB-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216117
N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216150
N-[2-(4-chlorophenyl)propan-2-yl]azepane-1-carboxamide
CID 113216316
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61342532
N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469721
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
5-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469727
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4,7-dimethyl-1,4,7-triazonane-1-carboxamide
CID 138018751

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide (CID 110469745) is N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NC(C)(C)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is UWDZSDCHAJGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(2,12-4-6-13(16)7-5-12)17-14(20)19-10-8-18(3)9-11-19/h4-7H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide?
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 110469745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).