(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

C16H32N4O — CID 90891644

IUPAC(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](NN(C)C)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-13(17-18(2)3)16(21)20-11-7-15(8-12-20)14-5-9-19(4)10-6-14/h13-15,17H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyHNQXAXIWFFGDNZ-CYBMUJFWSA-N
MW296.46 g/mol
LogP1.02
Rot. Bonds4

About (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one

(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 90891644) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID90891644
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](NN(C)C)C(=O)N1CCC(C2CCN(C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-13(17-18(2)3)16(21)20-11-7-15(8-12-20)14-5-9-19(4)10-6-14/h13-15,17H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyHNQXAXIWFFGDNZ-CYBMUJFWSA-N
XLogP1.02
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2,6-diamino-1-[4-(1-pentadecylpiperidin-4-yl)piperidin-1-yl]hexan-1-one
CID 44592906
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 11322755
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 23540154
(2R)-2-amino-3-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 23540157
1-[beta-dimethylamino-D-alaninyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 23540158
(2R)-2-amino-4-methyl-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 57856220
(2R)-2-amino-4-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]pentan-1-one
CID 69141458
1-D-valinyl-4-(1-methylpiperidin-4-yl)-piperidine hydrochloride
CID 69143169
1-(D-valinyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 69143170
1-D-Valinyl-4-(1-methylpiperidin-4-yl)piperidine Dihydrochloride
CID 69143472
(2S)-2-amino-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 69329775
(2R)-2-amino-3-(dimethylamino)-1-[4-(2-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 69696915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one (CID 90891644) is (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is C[C@@H](NN(C)C)C(=O)N1CCC(C2CCN(C)CC2)CC1.
What is the InChIKey of (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HNQXAXIWFFGDNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(17-18(2)3)16(21)20-11-7-15(8-12-20)14-5-9-19(4)10-6-14/h13-15,17H,5-12H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one?
(2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 296.46 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethylhydrazinyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90891644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).