N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C20H26FN5O — CID 122571908

IUPACN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCCC1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-6-2-1-5-16(17)20(9-3-4-10-20)13-22-19(27)26-11-7-15(8-12-26)18-23-14-24-25-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,22,27)(H,23,24,25)
InChIKeyHCQHTUSYTVRPBB-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.34
Rot. Bonds4

About N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 122571908) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID122571908
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCCC1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C20H26FN5O/c21-17-6-2-1-5-16(17)20(9-3-4-10-20)13-22-19(27)26-11-7-15(8-12-26)18-23-14-24-25-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,22,27)(H,23,24,25)
InChIKeyHCQHTUSYTVRPBB-UHFFFAOYSA-N
XLogP3.34
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 122571908) is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NCC1(c2ccccc2F)CCCC1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HCQHTUSYTVRPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-6-2-1-5-16(17)20(9-3-4-10-20)13-22-19(27)26-11-7-15(8-12-26)18-23-14-24-25-18/h1-2,5-6,14-15H,3-4,7-13H2,(H,22,27)(H,23,24,25).
What are the key properties of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122571908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).