1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride

C18H24ClN5O2 — CID 154895422

IUPAC1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCCn1cc(C(=O)N2CCCC(C(=O)Cc3ccccc3)C2)nn1
InChIInChI=1S/C18H23N5O2.ClH/c19-8-10-23-13-16(20-21-23)18(25)22-9-4-7-15(12-22)17(24)11-14-5-2-1-3-6-14;/h1-3,5-6,13,15H,4,7-12,19H2;1H
InChIKeyPKAYSNHMLLUJNO-UHFFFAOYSA-N
MW377.88 g/mol
LogP1.32
Rot. Bonds6

About 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride

1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride (PubChem CID 154895422) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
PubChem CID154895422
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride
SMILESCl.NCCn1cc(C(=O)N2CCCC(C(=O)Cc3ccccc3)C2)nn1
InChIInChI=1S/C18H23N5O2.ClH/c19-8-10-23-13-16(20-21-23)18(25)22-9-4-7-15(12-22)17(24)11-14-5-2-1-3-6-14;/h1-3,5-6,13,15H,4,7-12,19H2;1H
InChIKeyPKAYSNHMLLUJNO-UHFFFAOYSA-N
XLogP1.32
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-aminoethyl)triazole-4-carbonyl]-N-methylpiperidine-3-carboxamide
CID 103195300
[(3R)-1-[1-(2-phenylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42095787
(3-cyclohexylpyrrolidin-1-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45218231
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
[(3R)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26393027
1-[1-(2-aminoethyl)triazol-4-yl]-2-phenylethanone
CID 116583008
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95402752
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70712573

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride?
The IUPAC name of 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride (CID 154895422) is 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride.
What is the SMILES notation for 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride?
The canonical SMILES for 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride is Cl.NCCn1cc(C(=O)N2CCCC(C(=O)Cc3ccccc3)C2)nn1.
What is the InChIKey of 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride?
The InChIKey is PKAYSNHMLLUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.ClH/c19-8-10-23-13-16(20-21-23)18(25)22-9-4-7-15(12-22)17(24)11-14-5-2-1-3-6-14;/h1-3,5-6,13,15H,4,7-12,19H2;1H.
What are the key properties of 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride?
1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride has a molecular weight of 377.88 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-aminoethyl)triazole-4-carbonyl]piperidin-3-yl]-2-phenylethanone;hydrochloride is sourced from PubChem (CID 154895422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).