4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide

C23H30N2O3 — CID 145270513

IUPAC4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide
SMILESCCCCOc1ccc([C@@H]2CCNCC2COc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-3-14-27-20-8-4-17(5-9-20)22-12-13-25-15-19(22)16-28-21-10-6-18(7-11-21)23(24)26/h4-11,19,22,25H,2-3,12-16H2,1H3,(H2,24,26)/t19?,22-/m0/s1
InChIKeyIXGABHGUMFVYQA-BPARTEKVSA-N
MW382.50 g/mol
LogP3.74
Rot. Bonds9

About 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide

4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 145270513) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide
PubChem CID145270513
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide
SMILESCCCCOc1ccc([C@@H]2CCNCC2COc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-3-14-27-20-8-4-17(5-9-20)22-12-13-25-15-19(22)16-28-21-10-6-18(7-11-21)23(24)26/h4-11,19,22,25H,2-3,12-16H2,1H3,(H2,24,26)/t19?,22-/m0/s1
InChIKeyIXGABHGUMFVYQA-BPARTEKVSA-N
XLogP3.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethylpiperidin-4-yl)benzamide
CID 175844110
4-[[(3S,4R)-4-[4-(2-methoxyethoxy)phenyl]piperidin-3-yl]methoxy]-N-propylbenzamide
CID 126676925
N-butyl-4-[[(3S,4R)-4-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]piperidin-3-yl]methoxy]benzamide
CID 126676935
4-[[(3S,4R)-4-[4-[2-(4-fluorophenyl)ethoxy]phenyl]piperidin-3-yl]methoxy]-N-(3-methoxypropyl)benzamide
CID 126676938
2-[2-[4-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]phenoxy]ethoxy]acetic acid;hydrochloride
CID 168915271
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
2-(4-butoxyphenyl)cyclopropan-1-amine
CID 59628060

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide (CID 145270513) is 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide is CCCCOc1ccc([C@@H]2CCNCC2COc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is IXGABHGUMFVYQA-BPARTEKVSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-3-14-27-20-8-4-17(5-9-20)22-12-13-25-15-19(22)16-28-21-10-6-18(7-11-21)23(24)26/h4-11,19,22,25H,2-3,12-16H2,1H3,(H2,24,26)/t19?,22-/m0/s1.
What are the key properties of 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide?
4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-(4-butoxyphenyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 145270513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).