N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide

C20H36N4O2 — CID 170231211

IUPACN-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC12CCN(C(=O)CCN1CCN(C(C)C)CC1)CC2
InChIInChI=1S/C20H36N4O2/c1-16(2)23-12-10-22(11-13-23)7-4-19(26)24-8-5-20(6-9-24)14-18(20)15-21-17(3)25/h16,18H,4-15H2,1-3H3,(H,21,25)
InChIKeySPGRDVYTNZTVMZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP1.17
Rot. Bonds6

About N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide

N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide (PubChem CID 170231211) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
PubChem CID170231211
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CC12CCN(C(=O)CCN1CCN(C(C)C)CC1)CC2
InChIInChI=1S/C20H36N4O2/c1-16(2)23-12-10-22(11-13-23)7-4-19(26)24-8-5-20(6-9-24)14-18(20)15-21-17(3)25/h16,18H,4-15H2,1-3H3,(H,21,25)
InChIKeySPGRDVYTNZTVMZ-UHFFFAOYSA-N
XLogP1.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide (CID 170231211) is N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide is CC(=O)NCC1CC12CCN(C(=O)CCN1CCN(C(C)C)CC1)CC2.
What is the InChIKey of N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide?
The InChIKey is SPGRDVYTNZTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-16(2)23-12-10-22(11-13-23)7-4-19(26)24-8-5-20(6-9-24)14-18(20)15-21-17(3)25/h16,18H,4-15H2,1-3H3,(H,21,25).
What are the key properties of N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide?
N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide has a molecular weight of 364.53 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide is sourced from PubChem (CID 170231211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).