N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide

C14H23N3O3 — CID 62898102

IUPACN-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
SMILESO=C1CCC(NC(=O)CCNC(=O)C2CCCC2)CN1
InChIInChI=1S/C14H23N3O3/c18-12-6-5-11(9-16-12)17-13(19)7-8-15-14(20)10-3-1-2-4-10/h10-11H,1-9H2,(H,15,20)(H,16,18)(H,17,19)
InChIKeyTXNKHCMDZLZURG-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.08
Rot. Bonds5

About N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide

N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide (PubChem CID 62898102) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
PubChem CID62898102
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
SMILESO=C1CCC(NC(=O)CCNC(=O)C2CCCC2)CN1
InChIInChI=1S/C14H23N3O3/c18-12-6-5-11(9-16-12)17-13(19)7-8-15-14(20)10-3-1-2-4-10/h10-11H,1-9H2,(H,15,20)(H,16,18)(H,17,19)
InChIKeyTXNKHCMDZLZURG-UHFFFAOYSA-N
XLogP0.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide (CID 62898102) is N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide is O=C1CCC(NC(=O)CCNC(=O)C2CCCC2)CN1.
What is the InChIKey of N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is TXNKHCMDZLZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-12-6-5-11(9-16-12)17-13(19)7-8-15-14(20)10-3-1-2-4-10/h10-11H,1-9H2,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide?
N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 62898102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).