N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide

C26H36FN3O — CID 46073937

IUPACN-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CC1CN(Cc2cccn2C)CC1c1ccc(F)cc1)C(=O)C1CCCC1
InChIInChI=1S/C26H36FN3O/c1-19(2)30(26(31)21-7-4-5-8-21)16-22-15-29(17-24-9-6-14-28(24)3)18-25(22)20-10-12-23(27)13-11-20/h6,9-14,19,21-22,25H,4-5,7-8,15-18H2,1-3H3
InChIKeyXGCPNBZBOYFGSE-UHFFFAOYSA-N
MW425.59 g/mol
LogP4.81
Rot. Bonds7

About N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide

N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 46073937) has the molecular formula C26H36FN3O and a molecular weight of 425.59 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID46073937
Molecular FormulaC26H36FN3O
Molecular Weight425.59 g/mol
Exact Mass425.28
IUPAC NameN-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CC1CN(Cc2cccn2C)CC1c1ccc(F)cc1)C(=O)C1CCCC1
InChIInChI=1S/C26H36FN3O/c1-19(2)30(26(31)21-7-4-5-8-21)16-22-15-29(17-24-9-6-14-28(24)3)18-25(22)20-10-12-23(27)13-11-20/h6,9-14,19,21-22,25H,4-5,7-8,15-18H2,1-3H3
InChIKeyXGCPNBZBOYFGSE-UHFFFAOYSA-N
XLogP4.81
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[1-[(1-methylpyrrol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46062983
N-[[(3S,4S)-4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92992548
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42870385
N-cyclohexyl-2-methyl-N-[[4-(4-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 42870251
N-[[(3R,4S)-4-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992346
N-cyclohexyl-4-fluoro-N-[[(3S,4R)-4-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 100900420
N-[[4-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870210
N-[[4-(4-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 42870209
4-fluoro-N-[[4-(4-fluorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 42864074
4-fluoro-N-[[(3R,4S)-4-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992567
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42776764
4-fluoro-N-[[(3S,4S)-4-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992519

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide (CID 46073937) is N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide is CC(C)N(CC1CN(Cc2cccn2C)CC1c1ccc(F)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is XGCPNBZBOYFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O/c1-19(2)30(26(31)21-7-4-5-8-21)16-22-15-29(17-24-9-6-14-28(24)3)18-25(22)20-10-12-23(27)13-11-20/h6,9-14,19,21-22,25H,4-5,7-8,15-18H2,1-3H3.
What are the key properties of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 425.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 46073937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).