[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone

C17H23N5O — CID 119521017

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCC(C(C)N)CC2)ccc1-n1cncn1
InChIInChI=1S/C17H23N5O/c1-12-9-15(3-4-16(12)22-11-19-10-20-22)17(23)21-7-5-14(6-8-21)13(2)18/h3-4,9-11,13-14H,5-8,18H2,1-2H3
InChIKeyAMXVUJTZKADZNS-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.78
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 119521017) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID119521017
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCC(C(C)N)CC2)ccc1-n1cncn1
InChIInChI=1S/C17H23N5O/c1-12-9-15(3-4-16(12)22-11-19-10-20-22)17(23)21-7-5-14(6-8-21)13(2)18/h3-4,9-11,13-14H,5-8,18H2,1-2H3
InChIKeyAMXVUJTZKADZNS-UHFFFAOYSA-N
XLogP1.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone;hydrochloride
CID 119413554
[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 99817438
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124594340
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[4-(1-aminoethyl)piperidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 119520955
N-(2-amino-1-cyclohexylethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119592179
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
3-methyl-4-(1,2,4-triazol-1-yl)benzenecarbothioamide
CID 60929947
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124690862
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124692087
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 119521017) is [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone is Cc1cc(C(=O)N2CCC(C(C)N)CC2)ccc1-n1cncn1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is AMXVUJTZKADZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-9-15(3-4-16(12)22-11-19-10-20-22)17(23)21-7-5-14(6-8-21)13(2)18/h3-4,9-11,13-14H,5-8,18H2,1-2H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 313.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 119521017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).