piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone

C13H20N4O — CID 141141122

IUPACpiperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone
SMILESO=C([C@@H]1CC[C@@H](n2cnnc2)C1)N1CCCCC1
InChIInChI=1S/C13H20N4O/c18-13(16-6-2-1-3-7-16)11-4-5-12(8-11)17-9-14-15-10-17/h9-12H,1-8H2/t11-,12-/m1/s1
InChIKeyANNABTYXNDUTGN-VXGBXAGGSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds2

About piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone

piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone (PubChem CID 141141122) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone
PubChem CID141141122
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Namepiperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone
SMILESO=C([C@@H]1CC[C@@H](n2cnnc2)C1)N1CCCCC1
InChIInChI=1S/C13H20N4O/c18-13(16-6-2-1-3-7-16)11-4-5-12(8-11)17-9-14-15-10-17/h9-12H,1-8H2/t11-,12-/m1/s1
InChIKeyANNABTYXNDUTGN-VXGBXAGGSA-N
XLogP1.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone;hydrochloride
CID 163334956
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
CID 1122069
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
aziridin-1-yl(cyclohexyl)methanone
CID 2309619

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone?
The IUPAC name of piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone (CID 141141122) is piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone.
What is the SMILES notation for piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone?
The canonical SMILES for piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone is O=C([C@@H]1CC[C@@H](n2cnnc2)C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone?
The InChIKey is ANNABTYXNDUTGN-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(16-6-2-1-3-7-16)11-4-5-12(8-11)17-9-14-15-10-17/h9-12H,1-8H2/t11-,12-/m1/s1.
What are the key properties of piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone?
piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[(1R,3R)-3-(1,2,4-triazol-4-yl)cyclopentyl]methanone is sourced from PubChem (CID 141141122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).