N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide

C22H30FN5O3 — CID 167190155

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2ccc(N3CCC(CN4CCC[C@H](F)C4)CC3)cn2)C(=O)N1
InChIInChI=1S/C22H30FN5O3/c23-16-2-1-9-27(14-16)13-15-7-10-28(11-8-15)17-3-4-18(24-12-17)21(30)25-19-5-6-20(29)26-22(19)31/h3-4,12,15-16,19H,1-2,5-11,13-14H2,(H,25,30)(H,26,29,31)/t16-,19-/m0/s1
InChIKeyMWEDKLWFCIIHTE-LPHOPBHVSA-N
MW431.51 g/mol
LogP1.27
Rot. Bonds5

About N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 167190155) has the molecular formula C22H30FN5O3 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID167190155
Molecular FormulaC22H30FN5O3
Molecular Weight431.51 g/mol
Exact Mass431.23
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2ccc(N3CCC(CN4CCC[C@H](F)C4)CC3)cn2)C(=O)N1
InChIInChI=1S/C22H30FN5O3/c23-16-2-1-9-27(14-16)13-15-7-10-28(11-8-15)17-3-4-18(24-12-17)21(30)25-19-5-6-20(29)26-22(19)31/h3-4,12,15-16,19H,1-2,5-11,13-14H2,(H,25,30)(H,26,29,31)/t16-,19-/m0/s1
InChIKeyMWEDKLWFCIIHTE-LPHOPBHVSA-N
XLogP1.27
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide (CID 167190155) is N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide is O=C1CC[C@H](NC(=O)c2ccc(N3CCC(CN4CCC[C@H](F)C4)CC3)cn2)C(=O)N1.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is MWEDKLWFCIIHTE-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H30FN5O3/c23-16-2-1-9-27(14-16)13-15-7-10-28(11-8-15)17-3-4-18(24-12-17)21(30)25-19-5-6-20(29)26-22(19)31/h3-4,12,15-16,19H,1-2,5-11,13-14H2,(H,25,30)(H,26,29,31)/t16-,19-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-5-[4-[[(3S)-3-fluoropiperidin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167190155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).