1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide

C17H25N3O3 — CID 56798078

IUPAC1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCOc1ccccc1CC(C)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-12(11-14-5-3-4-6-15(14)23-2)19-17(22)20-9-7-13(8-10-20)16(18)21/h3-6,12-13H,7-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyKLZYFBMVGNPKBL-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.53
Rot. Bonds5

About 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide

1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 56798078) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
PubChem CID56798078
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCOc1ccccc1CC(C)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-12(11-14-5-3-4-6-15(14)23-2)19-17(22)20-9-7-13(8-10-20)16(18)21/h3-6,12-13H,7-11H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyKLZYFBMVGNPKBL-UHFFFAOYSA-N
XLogP1.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
1-[[1-(2-methoxyphenyl)-3-methylbutan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004989
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 56808444
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
1-[(3R)-4-(2-methoxyphenyl)-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 129414877

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide (CID 56798078) is 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide is COc1ccccc1CC(C)NC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is KLZYFBMVGNPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(11-14-5-3-4-6-15(14)23-2)19-17(22)20-9-7-13(8-10-20)16(18)21/h3-6,12-13H,7-11H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide?
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56798078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).