N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide

C16H22FN3O — CID 113214294

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H22FN3O/c1-19-8-10-20(11-9-19)15(21)18-12-16(6-7-16)13-2-4-14(17)5-3-13/h2-5H,6-12H2,1H3,(H,18,21)
InChIKeyQVHNVZNJRYVEBW-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.81
Rot. Bonds3

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 113214294) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
PubChem CID113214294
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H22FN3O/c1-19-8-10-20(11-9-19)15(21)18-12-16(6-7-16)13-2-4-14(17)5-3-13/h2-5H,6-12H2,1H3,(H,18,21)
InChIKeyQVHNVZNJRYVEBW-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214295
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113214312
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 75520862
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide (CID 113214294) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is QVHNVZNJRYVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-19-8-10-20(11-9-19)15(21)18-12-16(6-7-16)13-2-4-14(17)5-3-13/h2-5H,6-12H2,1H3,(H,18,21).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 113214294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).