4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine

C21H44N4O — CID 156651582

IUPAC4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(N2CCCCC2)C1.CNCCC(=O)CNC(C)C
InChIInChI=1S/C13H26N2.C8H18N2O/c1-12(2)15-10-6-7-13(11-15)14-8-4-3-5-9-14;1-7(2)10-6-8(11)4-5-9-3/h12-13H,3-11H2,1-2H3;7,9-10H,4-6H2,1-3H3
InChIKeySXSRPYVNLRSCIJ-UHFFFAOYSA-N
MW368.61 g/mol
LogP2.51
Rot. Bonds8

About 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine

4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine (PubChem CID 156651582) has the molecular formula C21H44N4O and a molecular weight of 368.61 g/mol. Its IUPAC name is 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine
PubChem CID156651582
Molecular FormulaC21H44N4O
Molecular Weight368.61 g/mol
Exact Mass368.35
IUPAC Name4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC(N2CCCCC2)C1.CNCCC(=O)CNC(C)C
InChIInChI=1S/C13H26N2.C8H18N2O/c1-12(2)15-10-6-7-13(11-15)14-8-4-3-5-9-14;1-7(2)10-6-8(11)4-5-9-3/h12-13H,3-11H2,1-2H3;7,9-10H,4-6H2,1-3H3
InChIKeySXSRPYVNLRSCIJ-UHFFFAOYSA-N
XLogP2.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1-Methyl-3-propionylpiperazine
CID 3030170
3,4-Dipiperidinobutan-2-one
CID 12060709
(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
CID 135040309
1-(4-Piperazin-1-ylpiperazin-2-yl)propan-1-one
CID 20377933
1-(Methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one
CID 54234763
1-(1-Methylpiperazin-2-yl)propan-1-one
CID 58492296
(3S,6S)-3,4-dimethyl-6-[3-[(2S,5S)-2-methyl-3-oxo-5-(2-oxopropyl)piperazin-1-yl]-2-oxopropyl]piperazin-2-one
CID 58984324
1-(4-Propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
1-[4-[5-(Ethylamino)pentyl]-2,6-dimethylpiperazin-1-yl]propan-2-one
CID 66599193
1-Piperazin-2-yl-3-piperidin-1-ylpropan-1-one
CID 66963233
1-[1-(2-Aminopropyl)piperazin-2-yl]ethanone
CID 69065304
3-(Dimethylamino)-1-piperazin-2-ylpropan-1-one
CID 69120144

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine?
The IUPAC name of 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine (CID 156651582) is 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine is CC(C)N1CCCC(N2CCCCC2)C1.CNCCC(=O)CNC(C)C.
What is the InChIKey of 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine?
The InChIKey is SXSRPYVNLRSCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C8H18N2O/c1-12(2)15-10-6-7-13(11-15)14-8-4-3-5-9-14;1-7(2)10-6-8(11)4-5-9-3/h12-13H,3-11H2,1-2H3;7,9-10H,4-6H2,1-3H3.
What are the key properties of 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine?
4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine has a molecular weight of 368.61 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine is sourced from PubChem (CID 156651582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).