N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C16H27N3O3 — CID 71874876

IUPACN-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1CCC(=O)N(C)C1)NC(=O)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-11(17-16(22)12-5-3-4-6-12)9-14(20)18-13-7-8-15(21)19(2)10-13/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyPBMJMJALTOEGDK-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.81
Rot. Bonds5

About N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 71874876) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID71874876
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1CCC(=O)N(C)C1)NC(=O)C1CCCC1
InChIInChI=1S/C16H27N3O3/c1-11(17-16(22)12-5-3-4-6-12)9-14(20)18-13-7-8-15(21)19(2)10-13/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyPBMJMJALTOEGDK-UHFFFAOYSA-N
XLogP0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 71874876) is N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NC1CCC(=O)N(C)C1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is PBMJMJALTOEGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(17-16(22)12-5-3-4-6-12)9-14(20)18-13-7-8-15(21)19(2)10-13/h11-13H,3-10H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 71874876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).