2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide

C21H39N3O2 — CID 155183394

IUPAC2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide
SMILESCC(C)C(=O)CCCN1CCC(CC(C)C(=O)NC2CCCNC2)CC1
InChIInChI=1S/C21H39N3O2/c1-16(2)20(25)7-5-11-24-12-8-18(9-13-24)14-17(3)21(26)23-19-6-4-10-22-15-19/h16-19,22H,4-15H2,1-3H3,(H,23,26)
InChIKeyCQQJVKSDUVERAQ-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.60
Rot. Bonds9

About 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide

2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide (PubChem CID 155183394) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide
PubChem CID155183394
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide
SMILESCC(C)C(=O)CCCN1CCC(CC(C)C(=O)NC2CCCNC2)CC1
InChIInChI=1S/C21H39N3O2/c1-16(2)20(25)7-5-11-24-12-8-18(9-13-24)14-17(3)21(26)23-19-6-4-10-22-15-19/h16-19,22H,4-15H2,1-3H3,(H,23,26)
InChIKeyCQQJVKSDUVERAQ-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
(2S)-3-cyclopentyl-N-[1-(4-methoxybutyl)piperidin-4-yl]-2-methylpropanamide
CID 125419552
3-amino-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 130616618
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426
6-imidazolidin-1-yl-2-methylhexan-3-one
CID 58309908
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
1-butan-2-yl-3-piperidin-3-ylurea
CID 126971340
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide?
The IUPAC name of 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide (CID 155183394) is 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide is CC(C)C(=O)CCCN1CCC(CC(C)C(=O)NC2CCCNC2)CC1.
What is the InChIKey of 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide?
The InChIKey is CQQJVKSDUVERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-16(2)20(25)7-5-11-24-12-8-18(9-13-24)14-17(3)21(26)23-19-6-4-10-22-15-19/h16-19,22H,4-15H2,1-3H3,(H,23,26).
What are the key properties of 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide?
2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide has a molecular weight of 365.56 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(5-methyl-4-oxohexyl)piperidin-4-yl]-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 155183394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).