4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

C20H27NO4 — CID 120672848

IUPAC4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(OCc3ccccc3)CC2)CC1
InChIInChI=1S/C20H27NO4/c22-19(16-6-8-17(9-7-16)20(23)24)21-12-10-18(11-13-21)25-14-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,23,24)
InChIKeyKBWWNNNWIKUASQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.09
Rot. Bonds5

About 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 120672848) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID120672848
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCC(OCc3ccccc3)CC2)CC1
InChIInChI=1S/C20H27NO4/c22-19(16-6-8-17(9-7-16)20(23)24)21-12-10-18(11-13-21)25-14-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,23,24)
InChIKeyKBWWNNNWIKUASQ-UHFFFAOYSA-N
XLogP3.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
CID 86913113
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[(3S)-3,4-dihydro-2H-chromen-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 129367014
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 120672848) is 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCC(OCc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is KBWWNNNWIKUASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c22-19(16-6-8-17(9-7-16)20(23)24)21-12-10-18(11-13-21)25-14-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,23,24).
What are the key properties of 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).