1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid

C17H24N2O5 — CID 122004010

IUPAC1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(OC(C)CNC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H24N2O5/c1-12(24-15-5-3-4-14(10-15)23-2)11-18-17(22)19-8-6-13(7-9-19)16(20)21/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyLZJZIQJCMDEWKA-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122004010) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122004010
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(OC(C)CNC(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H24N2O5/c1-12(24-15-5-3-4-14(10-15)23-2)11-18-17(22)19-8-6-13(7-9-19)16(20)21/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyLZJZIQJCMDEWKA-UHFFFAOYSA-N
XLogP1.97
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
1-[2-(4-bromophenoxy)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004339
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158
N-[2-(3-chlorophenoxy)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508484
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
1-(2-methoxypropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 102699573
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900
1-[3-(3,5-dimethoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122005787
1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
CID 95968582
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111501931
1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 39044812
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid (CID 122004010) is 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid is COc1cccc(OC(C)CNC(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LZJZIQJCMDEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-12(24-15-5-3-4-14(10-15)23-2)11-18-17(22)19-8-6-13(7-9-19)16(20)21/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122004010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).