1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid

C21H29NO3 — CID 45338210

IUPAC1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(CCC1CCCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C21H29NO3/c23-19(12-11-17-7-3-1-4-8-17)22-15-13-21(14-16-22,20(24)25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,24,25)
InChIKeyQPQMFJNQBWSBEJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid

1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45338210) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45338210
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(CCC1CCCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C21H29NO3/c23-19(12-11-17-7-3-1-4-8-17)22-15-13-21(14-16-22,20(24)25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,24,25)
InChIKeyQPQMFJNQBWSBEJ-UHFFFAOYSA-N
XLogP3.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
1-(3-cyclopentylpropanoyl)-4-phenyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600335
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
3-cyclopentyl-1-[4-[1-(3-methoxypropylamino)ethenyl]-4-phenylpiperidin-1-yl]propan-1-one
CID 89031878
1-(4-benzhydrylpiperazin-1-yl)-3-cyclohexylpropan-1-one
CID 1328826
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
4-[(8aS)-2-[1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carbonyl]-5,5,8a-trimethyl-3,8-dihydro-1H-isoquinolin-6-yl]benzoic acid
CID 139311989
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]-4-phenylpiperidine-4-carboxylic acid
CID 124693096
1-[5-(dimethylamino)-5-oxopentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168522
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-4-phenylpiperidine-4-carbonitrile
CID 97190884

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid (CID 45338210) is 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid is O=C(CCC1CCCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is QPQMFJNQBWSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c23-19(12-11-17-7-3-1-4-8-17)22-15-13-21(14-16-22,20(24)25)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,24,25).
What are the key properties of 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid?
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 343.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).