2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one

C15H31N5O2 — CID 166458720

IUPAC2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one
SMILESCC(C)(CCN1CCNCC1)C(NN)C(=O)N1CCC(O)C1
InChIInChI=1S/C15H31N5O2/c1-15(2,4-8-19-9-5-17-6-10-19)13(18-16)14(22)20-7-3-12(21)11-20/h12-13,17-18,21H,3-11,16H2,1-2H3
InChIKeyORLFVYCMXLVMGD-UHFFFAOYSA-N
MW313.45 g/mol
LogP-1.27
Rot. Bonds6

About 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one

2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one (PubChem CID 166458720) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one
PubChem CID166458720
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one
SMILESCC(C)(CCN1CCNCC1)C(NN)C(=O)N1CCC(O)C1
InChIInChI=1S/C15H31N5O2/c1-15(2,4-8-19-9-5-17-6-10-19)13(18-16)14(22)20-7-3-12(21)11-20/h12-13,17-18,21H,3-11,16H2,1-2H3
InChIKeyORLFVYCMXLVMGD-UHFFFAOYSA-N
XLogP-1.27
TPSA93.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511505
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
2-[2-[2-[2-[[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetic acid
CID 146244253
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
ethyl 2-(3-hydroxypyrrolidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538028

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one?
The IUPAC name of 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one (CID 166458720) is 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one?
The canonical SMILES for 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one is CC(C)(CCN1CCNCC1)C(NN)C(=O)N1CCC(O)C1.
What is the InChIKey of 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one?
The InChIKey is ORLFVYCMXLVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-15(2,4-8-19-9-5-17-6-10-19)13(18-16)14(22)20-7-3-12(21)11-20/h12-13,17-18,21H,3-11,16H2,1-2H3.
What are the key properties of 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one?
2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one has a molecular weight of 313.45 g/mol, XLogP of -1.27, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-5-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 166458720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).