5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride

C28H41ClN2O4 — CID 68662611

IUPAC5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
SMILESCOCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)c(-c2ccccc2)cc1OC(C)C.Cl
InChIInChI=1S/C28H40N2O4.ClH/c1-20(2)30(23-13-9-14-29-19-23)28(31)25-18-26(33-16-10-15-32-5)27(34-21(3)4)17-24(25)22-11-7-6-8-12-22;/h6-8,11-12,17-18,20-21,23,29H,9-10,13-16,19H2,1-5H3;1H/t23-;/m1./s1
InChIKeyRMHNOTQMOHXWFY-GNAFDRTKSA-N
MW505.10 g/mol
LogP5.58
Rot. Bonds11

About 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride

5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride (PubChem CID 68662611) has the molecular formula C28H41ClN2O4 and a molecular weight of 505.10 g/mol. Its IUPAC name is 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

Compound Name5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
PubChem CID68662611
Molecular FormulaC28H41ClN2O4
Molecular Weight505.10 g/mol
Exact Mass504.28
IUPAC Name5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
SMILESCOCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)c(-c2ccccc2)cc1OC(C)C.Cl
InChIInChI=1S/C28H40N2O4.ClH/c1-20(2)30(23-13-9-14-29-19-23)28(31)25-18-26(33-16-10-15-32-5)27(34-21(3)4)17-24(25)22-11-7-6-8-12-22;/h6-8,11-12,17-18,20-21,23,29H,9-10,13-16,19H2,1-5H3;1H/t23-;/m1./s1
InChIKeyRMHNOTQMOHXWFY-GNAFDRTKSA-N
XLogP5.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.10
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-azaspiro[2.5]octan-2-yl)-5-(3-methoxypropoxy)-2-phenyl-N-propan-2-yl-4-propan-2-yloxybenzamide
CID 143729541
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
tert-butyl (3R)-3-[[5-(3-methoxypropoxy)-4-propan-2-yloxy-2-propylbenzoyl]-propan-2-ylamino]piperidine-1-carboxylate;5-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxy-2-propylbenzamide;hydrochloride
CID 159549177
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
3-[4-chloro-2-methoxy-5-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]phenoxy]propanoic acid;hydrochloride
CID 68661680
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 42634826
ethane;3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 143814335
8-fluoro-4-(3-methoxypropoxy)-6-methyl-N-piperidin-3-yl-N-propan-2-ylquinoline-2-carboxamide;dihydrochloride
CID 139582045
N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,4-trifluorobutoxy)quinoline-2-carboxamide;dihydrochloride
CID 25115977
1-(4-methoxybutyl)-3-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylindole-2-carboxamide;hydrochloride
CID 25176175

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride?
The IUPAC name of 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride (CID 68662611) is 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride.
What is the SMILES notation for 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride?
The canonical SMILES for 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride is COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)c(-c2ccccc2)cc1OC(C)C.Cl.
What is the InChIKey of 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride?
The InChIKey is RMHNOTQMOHXWFY-GNAFDRTKSA-N. The full InChI is InChI=1S/C28H40N2O4.ClH/c1-20(2)30(23-13-9-14-29-19-23)28(31)25-18-26(33-16-10-15-32-5)27(34-21(3)4)17-24(25)22-11-7-6-8-12-22;/h6-8,11-12,17-18,20-21,23,29H,9-10,13-16,19H2,1-5H3;1H/t23-;/m1./s1.
What are the key properties of 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride?
5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 505.10 g/mol, XLogP of 5.58, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 68662611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).