3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide

C18H25N3O3 — CID 119724562

IUPAC3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1N1CCCCC1=O
InChIInChI=1S/C18H25N3O3/c1-24-16-8-7-14(20-18(23)12-5-6-13(19)10-12)11-15(16)21-9-3-2-4-17(21)22/h7-8,11-13H,2-6,9-10,19H2,1H3,(H,20,23)
InChIKeyPYCMRKHCDZLYFC-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.28
Rot. Bonds4

About 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119724562) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID119724562
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(N)C2)cc1N1CCCCC1=O
InChIInChI=1S/C18H25N3O3/c1-24-16-8-7-14(20-18(23)12-5-6-13(19)10-12)11-15(16)21-9-3-2-4-17(21)22/h7-8,11-13H,2-6,9-10,19H2,1H3,(H,20,23)
InChIKeyPYCMRKHCDZLYFC-UHFFFAOYSA-N
XLogP2.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide (CID 119724562) is 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2CCC(N)C2)cc1N1CCCCC1=O.
What is the InChIKey of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is PYCMRKHCDZLYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-8-7-14(20-18(23)12-5-6-13(19)10-12)11-15(16)21-9-3-2-4-17(21)22/h7-8,11-13H,2-6,9-10,19H2,1H3,(H,20,23).
What are the key properties of 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119724562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).