3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C42H81N7O3 — CID 22902719

IUPAC3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(N(C(=O)CCN(O)CCC(=O)N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H81N7O3/c1-35(2)21-29(22-36(3,4)43-35)48(30-23-37(5,6)44-38(7,8)24-30)33(50)17-19-47(52)20-18-34(51)49(31-25-39(9,10)45-40(11,12)26-31)32-27-41(13,14)46-42(15,16)28-32/h29-32,43-46,52H,17-28H2,1-16H3
InChIKeyWHBQWFPJPVCCDS-UHFFFAOYSA-N
MW732.16 g/mol
LogP6.35
Rot. Bonds10

About 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 22902719) has the molecular formula C42H81N7O3 and a molecular weight of 732.16 g/mol. Its IUPAC name is 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID22902719
Molecular FormulaC42H81N7O3
Molecular Weight732.16 g/mol
Exact Mass731.64
IUPAC Name3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(N(C(=O)CCN(O)CCC(=O)N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C42H81N7O3/c1-35(2)21-29(22-36(3,4)43-35)48(30-23-37(5,6)44-38(7,8)24-30)33(50)17-19-47(52)20-18-34(51)49(31-25-39(9,10)45-40(11,12)26-31)32-27-41(13,14)46-42(15,16)28-32/h29-32,43-46,52H,17-28H2,1-16H3
InChIKeyWHBQWFPJPVCCDS-UHFFFAOYSA-N
XLogP6.35
TPSA112.21 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.16
LogP ≤ 56.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 22902719) is 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(N(C(=O)CCN(O)CCC(=O)N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is WHBQWFPJPVCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H81N7O3/c1-35(2)21-29(22-36(3,4)43-35)48(30-23-37(5,6)44-38(7,8)24-30)33(50)17-19-47(52)20-18-34(51)49(31-25-39(9,10)45-40(11,12)26-31)32-27-41(13,14)46-42(15,16)28-32/h29-32,43-46,52H,17-28H2,1-16H3.
What are the key properties of 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 732.16 g/mol, XLogP of 6.35, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]-3-oxopropyl]-hydroxyamino]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 22902719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).