N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

C30H36F3N5O3 — CID 59404826

IUPACN-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(N(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C30H36F3N5O3/c31-30(32,33)24-10-8-23(9-11-24)28(40)35-16-12-26(13-17-35)38(25-6-2-1-3-7-25)27(39)22-34-18-20-37(21-19-34)29(41)36-14-4-5-15-36/h1-3,6-11,26H,4-5,12-22H2
InChIKeyWHDGBCLJNAZSHP-UHFFFAOYSA-N
MW571.64 g/mol
LogP4.18
Rot. Bonds5

About N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 59404826) has the molecular formula C30H36F3N5O3 and a molecular weight of 571.64 g/mol. Its IUPAC name is N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
PubChem CID59404826
Molecular FormulaC30H36F3N5O3
Molecular Weight571.64 g/mol
Exact Mass571.28
IUPAC NameN-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(N(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)c2ccccc2)CC1
InChIInChI=1S/C30H36F3N5O3/c31-30(32,33)24-10-8-23(9-11-24)28(40)35-16-12-26(13-17-35)38(25-6-2-1-3-7-25)27(39)22-34-18-20-37(21-19-34)29(41)36-14-4-5-15-36/h1-3,6-11,26H,4-5,12-22H2
InChIKeyWHDGBCLJNAZSHP-UHFFFAOYSA-N
XLogP4.18
TPSA67.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.64
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 68518001
2-[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 68516902
1-(3-methylpiperidin-1-yl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 78857533
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
tert-butyl 4-[1-[2-oxo-2-(N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]anilino)ethyl]tetrazol-5-yl]piperidine-1-carboxylate
CID 68518531
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (CID 59404826) is N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)c2ccccc2)CC1.
What is the InChIKey of N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is WHDGBCLJNAZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N5O3/c31-30(32,33)24-10-8-23(9-11-24)28(40)35-16-12-26(13-17-35)38(25-6-2-1-3-7-25)27(39)22-34-18-20-37(21-19-34)29(41)36-14-4-5-15-36/h1-3,6-11,26H,4-5,12-22H2.
What are the key properties of N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 571.64 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 59404826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).