N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide

C25H32F2N4O — CID 68626796

IUPACN-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
SMILESCCC(N1CCCC1)N1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32F2N4O/c1-2-23(29-13-3-4-14-29)30-15-17-31(18-16-30)25(32)28-24(19-5-9-21(26)10-6-19)20-7-11-22(27)12-8-20/h5-12,23-24H,2-4,13-18H2,1H3,(H,28,32)
InChIKeyVJOWLXKCCLTMIU-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.21
Rot. Bonds6

About N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide

N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 68626796) has the molecular formula C25H32F2N4O and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID68626796
Molecular FormulaC25H32F2N4O
Molecular Weight442.55 g/mol
Exact Mass442.25
IUPAC NameN-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
SMILESCCC(N1CCCC1)N1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32F2N4O/c1-2-23(29-13-3-4-14-29)30-15-17-31(18-16-30)25(32)28-24(19-5-9-21(26)10-6-19)20-7-11-22(27)12-8-20/h5-12,23-24H,2-4,13-18H2,1H3,(H,28,32)
InChIKeyVJOWLXKCCLTMIU-UHFFFAOYSA-N
XLogP4.21
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide
CID 69018260
4-[2-[bis(4-fluorophenyl)methylamino]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 23371536
N-benzhydryl-3-(4-fluorophenyl)azepane-1-carboxamide
CID 121130962
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 126441326
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
CID 126424698
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
4-[bis(4-fluorophenyl)methyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 4988040
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 52900769

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide (CID 68626796) is N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide is CCC(N1CCCC1)N1CCN(C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is VJOWLXKCCLTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O/c1-2-23(29-13-3-4-14-29)30-15-17-31(18-16-30)25(32)28-24(19-5-9-21(26)10-6-19)20-7-11-22(27)12-8-20/h5-12,23-24H,2-4,13-18H2,1H3,(H,28,32).
What are the key properties of N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide?
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 68626796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).