4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide

C20H32N2O3 — CID 143814264

IUPAC4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCOCCCCc1cc(C(=O)N(C(C)C)C2CCCNC2)ccc1O
InChIInChI=1S/C20H32N2O3/c1-15(2)22(18-8-6-11-21-14-18)20(24)17-9-10-19(23)16(13-17)7-4-5-12-25-3/h9-10,13,15,18,21,23H,4-8,11-12,14H2,1-3H3
InChIKeySUCLQYDPIMBHNI-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.96
Rot. Bonds8

About 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide

4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide (PubChem CID 143814264) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
PubChem CID143814264
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCOCCCCc1cc(C(=O)N(C(C)C)C2CCCNC2)ccc1O
InChIInChI=1S/C20H32N2O3/c1-15(2)22(18-8-6-11-21-14-18)20(24)17-9-10-19(23)16(13-17)7-4-5-12-25-3/h9-10,13,15,18,21,23H,4-8,11-12,14H2,1-3H3
InChIKeySUCLQYDPIMBHNI-UHFFFAOYSA-N
XLogP2.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.96
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-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
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
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 42634826
3,5-bis(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide;tert-butyl (3R)-3-[[3,5-bis(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidine-1-carboxylate;hydrochloride
CID 158286555
3-cyano-5-fluoro-1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylindole-2-carboxamide
CID 143750242
5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143821382
1-(4-methoxybutyl)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-3-propoxyindole-2-carboxamide;propane
CID 143750165
5-(3-methoxypropoxy)-2-phenyl-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-propan-2-yloxybenzamide;hydrochloride
CID 68662611
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177255

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The IUPAC name of 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide (CID 143814264) is 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide is COCCCCc1cc(C(=O)N(C(C)C)C2CCCNC2)ccc1O.
What is the InChIKey of 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The InChIKey is SUCLQYDPIMBHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15(2)22(18-8-6-11-21-14-18)20(24)17-9-10-19(23)16(13-17)7-4-5-12-25-3/h9-10,13,15,18,21,23H,4-8,11-12,14H2,1-3H3.
What are the key properties of 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide?
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide has a molecular weight of 348.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 143814264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).