2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide

C19H36N4O2 — CID 164715646

IUPAC2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)19(25)20-17-5-9-23(10-6-17)18(24)7-8-21-11-13-22(14-12-21)16(3)4/h15-17H,5-14H2,1-4H3,(H,20,25)
InChIKeyHPZMJSCMTBJYHG-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.17
Rot. Bonds6

About 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 164715646) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID164715646
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)19(25)20-17-5-9-23(10-6-17)18(24)7-8-21-11-13-22(14-12-21)16(3)4/h15-17H,5-14H2,1-4H3,(H,20,25)
InChIKeyHPZMJSCMTBJYHG-UHFFFAOYSA-N
XLogP1.17
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
(2S)-N-cyclopropyl-2-[4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]propanamide
CID 94103625
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
2-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;molecular hydrogen
CID 176982787
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 167480006
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-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
N-[6-[3-(4-butan-2-ylpiperazin-1-yl)propanoyl]-6-azaspiro[3.4]octan-2-yl]-2-methylpropanamide;molecular hydrogen
CID 154671378
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide (CID 164715646) is 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)CCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is HPZMJSCMTBJYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-15(2)19(25)20-17-5-9-23(10-6-17)18(24)7-8-21-11-13-22(14-12-21)16(3)4/h15-17H,5-14H2,1-4H3,(H,20,25).
What are the key properties of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 352.52 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 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 164715646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).