N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide

C18H32N6O2 — CID 46989224

IUPACN-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(C(C)(C)N)nn2)CC1
InChIInChI=1S/C18H32N6O2/c1-12(2)10-15(20-13(3)25)17(26)23-8-6-14(7-9-23)24-11-16(21-22-24)18(4,5)19/h11-12,14-15H,6-10,19H2,1-5H3,(H,20,25)/t15-/m0/s1
InChIKeyFJNZEFPGDCNMTN-HNNXBMFYSA-N
MW364.49 g/mol
LogP1.19
Rot. Bonds6

About N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide

N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide (PubChem CID 46989224) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide
PubChem CID46989224
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(C(C)(C)N)nn2)CC1
InChIInChI=1S/C18H32N6O2/c1-12(2)10-15(20-13(3)25)17(26)23-8-6-14(7-9-23)24-11-16(21-22-24)18(4,5)19/h11-12,14-15H,6-10,19H2,1-5H3,(H,20,25)/t15-/m0/s1
InChIKeyFJNZEFPGDCNMTN-HNNXBMFYSA-N
XLogP1.19
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide (CID 46989224) is N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(n2cc(C(C)(C)N)nn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
The InChIKey is FJNZEFPGDCNMTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-12(2)10-15(20-13(3)25)17(26)23-8-6-14(7-9-23)24-11-16(21-22-24)18(4,5)19/h11-12,14-15H,6-10,19H2,1-5H3,(H,20,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide?
N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 46989224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).