N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

C16H25FN4O — CID 113105789

IUPACN-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H25FN4O/c1-19(2)8-7-18-16(22)21-11-9-20(10-12-21)13-14-5-3-4-6-15(14)17/h3-6H,7-13H2,1-2H3,(H,18,22)
InChIKeyNNXCMBBYMYONSN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113105789) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113105789
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H25FN4O/c1-19(2)8-7-18-16(22)21-11-9-20(10-12-21)13-14-5-3-4-6-15(14)17/h3-6H,7-13H2,1-2H3,(H,18,22)
InChIKeyNNXCMBBYMYONSN-UHFFFAOYSA-N
XLogP1.21
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
N-(cyclopropylmethyl)-4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carboxamide
CID 51104070
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113105789) is N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NNXCMBBYMYONSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-19(2)8-7-18-16(22)21-11-9-20(10-12-21)13-14-5-3-4-6-15(14)17/h3-6H,7-13H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113105789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).