2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide

C22H40N4O2 — CID 154670547

IUPAC2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
SMILESCC(C)C(=O)NC1CC2(CCN(C(=O)CCN3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C22H40N4O2/c1-17(2)21(28)23-19-15-22(16-19)6-9-26(10-7-22)20(27)5-8-24-11-13-25(14-12-24)18(3)4/h17-19H,5-16H2,1-4H3,(H,23,28)
InChIKeyIXOHKQKVKRDLJF-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.95
Rot. Bonds6

About 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide

2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide (PubChem CID 154670547) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
PubChem CID154670547
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
SMILESCC(C)C(=O)NC1CC2(CCN(C(=O)CCN3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C22H40N4O2/c1-17(2)21(28)23-19-15-22(16-19)6-9-26(10-7-22)20(27)5-8-24-11-13-25(14-12-24)18(3)4/h17-19H,5-16H2,1-4H3,(H,23,28)
InChIKeyIXOHKQKVKRDLJF-UHFFFAOYSA-N
XLogP1.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 164715646
N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
CID 154671378
N-[[6-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]methyl]acetamide
CID 170231211
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
N-[[7-[3-(4-ethylpiperazin-1-yl)propanoyl]-1-oxa-7-azaspiro[3.5]nonan-2-yl]methyl]-2-methylpropanamide
CID 154670605
N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide
CID 154670101
2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide
CID 164715698
3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 167480006
N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide;N-[3,3-difluoro-1-[2-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)acetyl]piperidin-4-yl]-2-methylpropanamide;2-methyl-N-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]propanamide;3-methyl-1-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]butan-2-one;2-methyl-N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-azaspiro[4.4]nonan-8-yl]propanamide;2-methyl-N-[[8-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]propanamide;3-methyl-1-[2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]butan-2-one;2-methyl-N-[[2-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]propanamide
CID 164967165
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-butyl-2-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 154670296
N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]acetamide
CID 154670939
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide (CID 154670547) is 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide is CC(C)C(=O)NC1CC2(CCN(C(=O)CCN3CCN(C(C)C)CC3)CC2)C1.
What is the InChIKey of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
The InChIKey is IXOHKQKVKRDLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-17(2)21(28)23-19-15-22(16-19)6-9-26(10-7-22)20(27)5-8-24-11-13-25(14-12-24)18(3)4/h17-19H,5-16H2,1-4H3,(H,23,28).
What are the key properties of 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide?
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide has a molecular weight of 392.59 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide is sourced from PubChem (CID 154670547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).