N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide

C19H26N6O2 — CID 146193082

IUPACN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc(-n3cnnc3)cc2)CC1
InChIInChI=1S/C19H26N6O2/c1-13(20)19(27)24-9-7-15(8-10-24)14(2)23-18(26)16-3-5-17(6-4-16)25-11-21-22-12-25/h3-6,11-15H,7-10,20H2,1-2H3,(H,23,26)
InChIKeyWMUFPUBNBKRXQP-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.97
Rot. Bonds5

About N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 146193082) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID146193082
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc(-n3cnnc3)cc2)CC1
InChIInChI=1S/C19H26N6O2/c1-13(20)19(27)24-9-7-15(8-10-24)14(2)23-18(26)16-3-5-17(6-4-16)25-11-21-22-12-25/h3-6,11-15H,7-10,20H2,1-2H3,(H,23,26)
InChIKeyWMUFPUBNBKRXQP-UHFFFAOYSA-N
XLogP0.97
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 146193082) is N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc(-n3cnnc3)cc2)CC1.
What is the InChIKey of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WMUFPUBNBKRXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(20)19(27)24-9-7-15(8-10-24)14(2)23-18(26)16-3-5-17(6-4-16)25-11-21-22-12-25/h3-6,11-15H,7-10,20H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 370.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 146193082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).