1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

C20H28N2O4 — CID 122078438

IUPAC1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(24)16-10-12-22(13-11-16)20(25)21-17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-14H2,(H,21,25)(H,23,24)
InChIKeyXFCUTMZJNRYOPI-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.97
Rot. Bonds5

About 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122078438) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122078438
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H28N2O4/c23-19(24)16-10-12-22(13-11-16)20(25)21-17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-14H2,(H,21,25)(H,23,24)
InChIKeyXFCUTMZJNRYOPI-UHFFFAOYSA-N
XLogP3.97
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
1-[[4-(2,2-difluoroethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086163
N-[4-(cyclopropylmethoxy)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 131960443
1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
N-[4-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]phenyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
CID 143182217
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
N-[4-(azocan-4-ylmethoxy)phenyl]-4-(4-chlorophenyl)piperidine-1-carboxamide
CID 143182239
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122078438) is 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XFCUTMZJNRYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(24)16-10-12-22(13-11-16)20(25)21-17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-14H2,(H,21,25)(H,23,24).
What are the key properties of 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclohexylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122078438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).