N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide

C20H27FN6O — CID 92572443

IUPACN-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1
InChIInChI=1S/C20H27FN6O/c21-18-6-2-1-5-17(18)20(9-3-4-10-20)14-26-11-7-16(8-12-26)23-19(28)13-27-15-22-24-25-27/h1-2,5-6,15-16H,3-4,7-14H2,(H,23,28)
InChIKeyQVCQFMPTTYTOOG-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.90
Rot. Bonds6

About N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide

N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 92572443) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID92572443
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC NameN-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1
InChIInChI=1S/C20H27FN6O/c21-18-6-2-1-5-17(18)20(9-3-4-10-20)14-26-11-7-16(8-12-26)23-19(28)13-27-15-22-24-25-27/h1-2,5-6,15-16H,3-4,7-14H2,(H,23,28)
InChIKeyQVCQFMPTTYTOOG-UHFFFAOYSA-N
XLogP1.90
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
CID 95853159
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
CID 122556371
N-[4-(methylamino)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 79111193
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431354
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 75470219
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 124564998
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125432539
N-[1-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 95853165
2-(tetrazol-1-yl)-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 94151419
N-[1-[[1-(3-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-pyridin-2-ylacetamide
CID 92577364
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 134029552
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
CID 71709425

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide (CID 92572443) is N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1.
What is the InChIKey of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is QVCQFMPTTYTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c21-18-6-2-1-5-17(18)20(9-3-4-10-20)14-26-11-7-16(8-12-26)23-19(28)13-27-15-22-24-25-27/h1-2,5-6,15-16H,3-4,7-14H2,(H,23,28).
What are the key properties of N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide?
N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(2-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 92572443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).