7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one

C20H38N4O2 — CID 119836686

IUPAC7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)CCCCCCN)CC2)C1
InChIInChI=1S/C20H38N4O2/c1-17-13-18(2)15-24(14-17)20(26)16-22-9-11-23(12-10-22)19(25)7-5-3-4-6-8-21/h17-18H,3-16,21H2,1-2H3
InChIKeyDDYQKEBJAHAAPO-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.54
Rot. Bonds8

About 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one

7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one (PubChem CID 119836686) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one
PubChem CID119836686
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)CCCCCCN)CC2)C1
InChIInChI=1S/C20H38N4O2/c1-17-13-18(2)15-24(14-17)20(26)16-22-9-11-23(12-10-22)19(25)7-5-3-4-6-8-21/h17-18H,3-16,21H2,1-2H3
InChIKeyDDYQKEBJAHAAPO-UHFFFAOYSA-N
XLogP1.54
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride
CID 119851377
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
2-[4-(7-aminoheptanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823391
2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119836690
7-amino-1-(3,4,5-trimethylpiperazin-1-yl)heptan-1-one
CID 114536825
5-bromo-1-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 107907086
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
CID 62888089
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
2-[4-(5-aminopentyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253082
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876677
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119836715

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one (CID 119836686) is 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one is CC1CC(C)CN(C(=O)CN2CCN(C(=O)CCCCCCN)CC2)C1.
What is the InChIKey of 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one?
The InChIKey is DDYQKEBJAHAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-17-13-18(2)15-24(14-17)20(26)16-22-9-11-23(12-10-22)19(25)7-5-3-4-6-8-21/h17-18H,3-16,21H2,1-2H3.
What are the key properties of 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one?
7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one has a molecular weight of 366.55 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one is sourced from PubChem (CID 119836686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).