[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid

C25H33N3O5 — CID 137365367

IUPAC[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid
SMILESCC(C)(O)CN1CCC(Oc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)CC1(C)C
InChIInChI=1S/C25H33N3O5/c1-24(2)15-19(13-14-28(24)16-25(3,4)32)33-18-11-9-17(10-12-18)22(29)26-20-7-5-6-8-21(20)27-23(30)31/h5-12,19,27,32H,13-16H2,1-4H3,(H,26,29)(H,30,31)
InChIKeyIOVUDKXIRSGAKX-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.42
Rot. Bonds7

About [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid

[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid (PubChem CID 137365367) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid
PubChem CID137365367
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid
SMILESCC(C)(O)CN1CCC(Oc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)CC1(C)C
InChIInChI=1S/C25H33N3O5/c1-24(2)15-19(13-14-28(24)16-25(3,4)32)33-18-11-9-17(10-12-18)22(29)26-20-7-5-6-8-21(20)27-23(30)31/h5-12,19,27,32H,13-16H2,1-4H3,(H,26,29)(H,30,31)
InChIKeyIOVUDKXIRSGAKX-UHFFFAOYSA-N
XLogP4.42
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
CID 137365323
sodium;N-(2-aminophenyl)-4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzamide;benzyl N-(2-aminophenyl)carbamate;benzyl N-[2-[[4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamate;bromomethylcyclopropane;tert-butyl 4-(4-methoxycarbonylphenoxy)-2,2-dimethylpiperidine-1-carboxylate;4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoic acid;methyl 4-[1-(cyclopropylmethyl)-2,2-dimethylpiperidin-4-yl]oxybenzoate;methyl 4-(2,2-dimethylpiperidin-4-yl)oxybenzoate;hydroxide;hydrochloride
CID 160962761
N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
N-[2-[3-[3-(4-cyanophenoxy)pyrrolidin-1-yl]-2-hydroxy-2-methylpropoxy]phenyl]benzamide
CID 10227158
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
N-(2-amino-3-methylphenyl)-4-[(Z)-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-ylidene]methyl]benzamide
CID 142389610
N-(2-aminophenyl)-4-[1-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]piperidin-4-yl]oxybenzamide
CID 145225760
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352739
N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 55859581
N-(2-methoxyphenyl)-4-(thietan-3-yloxy)benzamide
CID 762074
tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 91306872

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid (CID 137365367) is [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid is CC(C)(O)CN1CCC(Oc2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)CC1(C)C.
What is the InChIKey of [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid?
The InChIKey is IOVUDKXIRSGAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-24(2)15-19(13-14-28(24)16-25(3,4)32)33-18-11-9-17(10-12-18)22(29)26-20-7-5-6-8-21(20)27-23(30)31/h5-12,19,27,32H,13-16H2,1-4H3,(H,26,29)(H,30,31).
What are the key properties of [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid?
[2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid has a molecular weight of 455.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[1-(2-hydroxy-2-methylpropyl)-2,2-dimethylpiperidin-4-yl]oxybenzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 137365367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).