N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide

C15H21F2N3O2 — CID 136563929

IUPACN-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C(F)F)cc2)CCN1CCO
InChIInChI=1S/C15H21F2N3O2/c1-11-10-20(7-6-19(11)8-9-21)15(22)18-13-4-2-12(3-5-13)14(16)17/h2-5,11,14,21H,6-10H2,1H3,(H,18,22)
InChIKeyYHDOEVKTAUSALH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.15
Rot. Bonds4

About N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide

N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide (PubChem CID 136563929) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide
PubChem CID136563929
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC NameN-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(C(F)F)cc2)CCN1CCO
InChIInChI=1S/C15H21F2N3O2/c1-11-10-20(7-6-19(11)8-9-21)15(22)18-13-4-2-12(3-5-13)14(16)17/h2-5,11,14,21H,6-10H2,1H3,(H,18,22)
InChIKeyYHDOEVKTAUSALH-UHFFFAOYSA-N
XLogP2.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 66568110
(2R,3R)-N-[4-(difluoromethyl)phenyl]-3-[2-hydroxyethyl(methyl)amino]-2-methylpyrrolidine-1-carboxamide
CID 136585899
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4993779
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
benzyl (3R)-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxylate
CID 96554940
(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97444820
4-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]piperazine-1-carboxamide
CID 21037631
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide (CID 136563929) is N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2ccc(C(F)F)cc2)CCN1CCO.
What is the InChIKey of N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide?
The InChIKey is YHDOEVKTAUSALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-11-10-20(7-6-19(11)8-9-21)15(22)18-13-4-2-12(3-5-13)14(16)17/h2-5,11,14,21H,6-10H2,1H3,(H,18,22).
What are the key properties of N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide?
N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide has a molecular weight of 313.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)phenyl]-4-(2-hydroxyethyl)-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 136563929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).