N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C18H20F2N4O — CID 86797210

IUPACN-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)F)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H20F2N4O/c19-17(20)14-4-3-6-15(12-14)22-18(25)24-10-8-23(9-11-24)13-16-5-1-2-7-21-16/h1-7,12,17H,8-11,13H2,(H,22,25)
InChIKeyGPCOANHAAZFNBJ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.37
Rot. Bonds4

About N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86797210) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID86797210
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)F)c1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H20F2N4O/c19-17(20)14-4-3-6-15(12-14)22-18(25)24-10-8-23(9-11-24)13-16-5-1-2-7-21-16/h1-7,12,17H,8-11,13H2,(H,22,25)
InChIKeyGPCOANHAAZFNBJ-UHFFFAOYSA-N
XLogP3.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113108369
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
N-(3-bromophenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 55470161
N-(3,4-dichlorophenyl)-4-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11698340

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 86797210) is N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(Nc1cccc(C(F)F)c1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is GPCOANHAAZFNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c19-17(20)14-4-3-6-15(12-14)22-18(25)24-10-8-23(9-11-24)13-16-5-1-2-7-21-16/h1-7,12,17H,8-11,13H2,(H,22,25).
What are the key properties of N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86797210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).