3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide

C19H26N6O2 — CID 120578129

IUPAC3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
SMILESCc1ccc(-n2cc(C(=O)N3CCCCC3CNC(=O)CCN)nn2)cc1
InChIInChI=1S/C19H26N6O2/c1-14-5-7-15(8-6-14)25-13-17(22-23-25)19(27)24-11-3-2-4-16(24)12-21-18(26)9-10-20/h5-8,13,16H,2-4,9-12,20H2,1H3,(H,21,26)
InChIKeySAVXECYMYJEGPA-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.04
Rot. Bonds6

About 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide

3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide (PubChem CID 120578129) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
PubChem CID120578129
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide
SMILESCc1ccc(-n2cc(C(=O)N3CCCCC3CNC(=O)CCN)nn2)cc1
InChIInChI=1S/C19H26N6O2/c1-14-5-7-15(8-6-14)25-13-17(22-23-25)19(27)24-11-3-2-4-16(24)12-21-18(26)9-10-20/h5-8,13,16H,2-4,9-12,20H2,1H3,(H,21,26)
InChIKeySAVXECYMYJEGPA-UHFFFAOYSA-N
XLogP1.04
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(aminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124698560
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579938
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124698513
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperidin-2-yl]methyl]propanamide
CID 120580017
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124695690
3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578135
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 110888051
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
3-amino-N-[[1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidin-2-yl]methyl]propanamide
CID 120580221

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide (CID 120578129) is 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide is Cc1ccc(-n2cc(C(=O)N3CCCCC3CNC(=O)CCN)nn2)cc1.
What is the InChIKey of 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?
The InChIKey is SAVXECYMYJEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14-5-7-15(8-6-14)25-13-17(22-23-25)19(27)24-11-3-2-4-16(24)12-21-18(26)9-10-20/h5-8,13,16H,2-4,9-12,20H2,1H3,(H,21,26).
What are the key properties of 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide?
3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide has a molecular weight of 370.46 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[1-(4-methylphenyl)triazole-4-carbonyl]piperidin-2-yl]methyl]propanamide is sourced from PubChem (CID 120578129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).