N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide

C17H23N5O3 — CID 168992484

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
SMILESCc1ccc(N2CCNCC2)nc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C17H23N5O3/c1-12-2-4-15(21-8-6-18-7-9-21)19-13(12)10-22(11-23)14-3-5-16(24)20-17(14)25/h2,4,11,14,18H,3,5-10H2,1H3,(H,20,24,25)
InChIKeyDWJGOPAWKXUUNR-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.44
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide (PubChem CID 168992484) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
PubChem CID168992484
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
SMILESCc1ccc(N2CCNCC2)nc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C17H23N5O3/c1-12-2-4-15(21-8-6-18-7-9-21)19-13(12)10-22(11-23)14-3-5-16(24)20-17(14)25/h2,4,11,14,18H,3,5-10H2,1H3,(H,20,24,25)
InChIKeyDWJGOPAWKXUUNR-UHFFFAOYSA-N
XLogP-0.44
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide (CID 168992484) is N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide is Cc1ccc(N2CCNCC2)nc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide?
The InChIKey is DWJGOPAWKXUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-2-4-15(21-8-6-18-7-9-21)19-13(12)10-22(11-23)14-3-5-16(24)20-17(14)25/h2,4,11,14,18H,3,5-10H2,1H3,(H,20,24,25).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide has a molecular weight of 345.40 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 168992484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).