[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride

C14H24ClN5O — CID 154895005

IUPAC[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.Cn1cnnc1C1CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1
InChIInChI=1S/C14H23N5O.ClH/c1-18-9-16-17-13(18)10-4-6-19(7-5-10)14(20)11-2-3-12(15)8-11;/h9-12H,2-8,15H2,1H3;1H/t11-,12+;/m0./s1
InChIKeyZZQHGADKYHMIHK-ZVWHLABXSA-N
MW313.83 g/mol
LogP1.07
Rot. Bonds2

About [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride

[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 154895005) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID154895005
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.Cn1cnnc1C1CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1
InChIInChI=1S/C14H23N5O.ClH/c1-18-9-16-17-13(18)10-4-6-19(7-5-10)14(20)11-2-3-12(15)8-11;/h9-12H,2-8,15H2,1H3;1H/t11-,12+;/m0./s1
InChIKeyZZQHGADKYHMIHK-ZVWHLABXSA-N
XLogP1.07
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(3R)-1-propan-2-ylpiperidin-3-yl]methanone
CID 97198787
[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70771529
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118774467
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride (CID 154895005) is [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride is Cl.Cn1cnnc1C1CCN(C(=O)[C@H]2CC[C@@H](N)C2)CC1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ZZQHGADKYHMIHK-ZVWHLABXSA-N. The full InChI is InChI=1S/C14H23N5O.ClH/c1-18-9-16-17-13(18)10-4-6-19(7-5-10)14(20)11-2-3-12(15)8-11;/h9-12H,2-8,15H2,1H3;1H/t11-,12+;/m0./s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride?
[(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 154895005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).