3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride

C16H29ClN6O2 — CID 120642635

IUPAC3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C16H28N6O2.ClH/c1-11(2)10-14(24)18-9-6-13(23)19-16-20-15(21-22(16)3)12-4-7-17-8-5-12;/h11-12,17H,4-10H2,1-3H3,(H,18,24)(H,19,20,21,23);1H
InChIKeyWUUVCZVWCRZOJW-UHFFFAOYSA-N
MW372.90 g/mol
LogP1.19
Rot. Bonds7

About 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride

3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride (PubChem CID 120642635) has the molecular formula C16H29ClN6O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
PubChem CID120642635
Molecular FormulaC16H29ClN6O2
Molecular Weight372.90 g/mol
Exact Mass372.20
IUPAC Name3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C16H28N6O2.ClH/c1-11(2)10-14(24)18-9-6-13(23)19-16-20-15(21-22(16)3)12-4-7-17-8-5-12;/h11-12,17H,4-10H2,1-3H3,(H,18,24)(H,19,20,21,23);1H
InChIKeyWUUVCZVWCRZOJW-UHFFFAOYSA-N
XLogP1.19
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride (CID 120642635) is 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride is CC(C)CC(=O)NCCC(=O)Nc1nc(C2CCNCC2)nn1C.Cl.
What is the InChIKey of 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
The InChIKey is WUUVCZVWCRZOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2.ClH/c1-11(2)10-14(24)18-9-6-13(23)19-16-20-15(21-22(16)3)12-4-7-17-8-5-12;/h11-12,17H,4-10H2,1-3H3,(H,18,24)(H,19,20,21,23);1H.
What are the key properties of 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride?
3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride is sourced from PubChem (CID 120642635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).