N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide

C21H31N3O3 — CID 119724590

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)cc1N1CCCCC1=O
InChIInChI=1S/C21H31N3O3/c1-15(16-8-10-22-11-9-16)13-20(25)23-17-6-7-19(27-2)18(14-17)24-12-4-3-5-21(24)26/h6-7,14-16,22H,3-5,8-13H2,1-2H3,(H,23,25)
InChIKeyUWLQGSOAXXFGCE-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.18
Rot. Bonds6

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119724590) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119724590
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)cc1N1CCCCC1=O
InChIInChI=1S/C21H31N3O3/c1-15(16-8-10-22-11-9-16)13-20(25)23-17-6-7-19(27-2)18(14-17)24-12-4-3-5-21(24)26/h6-7,14-16,22H,3-5,8-13H2,1-2H3,(H,23,25)
InChIKeyUWLQGSOAXXFGCE-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 119290092
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119290026
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 71896073
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
CID 119848540
3-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122076235
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55838376
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide (CID 119724590) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide is COc1ccc(NC(=O)CC(C)C2CCNCC2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is UWLQGSOAXXFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(16-8-10-22-11-9-16)13-20(25)23-17-6-7-19(27-2)18(14-17)24-12-4-3-5-21(24)26/h6-7,14-16,22H,3-5,8-13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 373.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119724590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).