7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride

C19H38Cl2N4O2 — CID 119851377

IUPAC7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)CCCCCCN)CC1.Cl.Cl
InChIInChI=1S/C19H36N4O2.2ClH/c1-17-8-5-7-11-23(17)19(25)16-21-12-14-22(15-13-21)18(24)9-4-2-3-6-10-20;;/h17H,2-16,20H2,1H3;2*1H
InChIKeySYKIWLHEPDXSQB-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.28
Rot. Bonds8

About 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride

7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride (PubChem CID 119851377) has the molecular formula C19H38Cl2N4O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride.

Molecular Properties

Compound Name7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride
PubChem CID119851377
Molecular FormulaC19H38Cl2N4O2
Molecular Weight425.45 g/mol
Exact Mass424.24
IUPAC Name7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)CCCCCCN)CC1.Cl.Cl
InChIInChI=1S/C19H36N4O2.2ClH/c1-17-8-5-7-11-23(17)19(25)16-21-12-14-22(15-13-21)18(24)9-4-2-3-6-10-20;;/h17H,2-16,20H2,1H3;2*1H
InChIKeySYKIWLHEPDXSQB-UHFFFAOYSA-N
XLogP2.28
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.28
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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one
CID 119836686
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55608937
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride?
The IUPAC name of 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride (CID 119851377) is 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride.
What is the SMILES notation for 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride?
The canonical SMILES for 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride is CC1CCCCN1C(=O)CN1CCN(C(=O)CCCCCCN)CC1.Cl.Cl.
What is the InChIKey of 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride?
The InChIKey is SYKIWLHEPDXSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2.2ClH/c1-17-8-5-7-11-23(17)19(25)16-21-12-14-22(15-13-21)18(24)9-4-2-3-6-10-20;;/h17H,2-16,20H2,1H3;2*1H.
What are the key properties of 7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride?
7-amino-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride has a molecular weight of 425.45 g/mol, XLogP of 2.28, 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-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]heptan-1-one;dihydrochloride is sourced from PubChem (CID 119851377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).