N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide

C19H30N2O3 — CID 111112837

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(O)CN2CCC(C)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-3-11-24-18-6-4-5-16(12-18)19(23)20-13-17(22)14-21-9-7-15(2)8-10-21/h4-6,12,15,17,22H,3,7-11,13-14H2,1-2H3,(H,20,23)
InChIKeyHDDXXTCDFAXSGH-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.30
Rot. Bonds8

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide (PubChem CID 111112837) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide
PubChem CID111112837
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(O)CN2CCC(C)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-3-11-24-18-6-4-5-16(12-18)19(23)20-13-17(22)14-21-9-7-15(2)8-10-21/h4-6,12,15,17,22H,3,7-11,13-14H2,1-2H3,(H,20,23)
InChIKeyHDDXXTCDFAXSGH-UHFFFAOYSA-N
XLogP2.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111112812
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
CID 114975149
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
N-[(2S)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-propoxybenzamide
CID 35573533
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
3-ethoxy-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 45155399

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide (CID 111112837) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC(O)CN2CCC(C)CC2)c1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide?
The InChIKey is HDDXXTCDFAXSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-11-24-18-6-4-5-16(12-18)19(23)20-13-17(22)14-21-9-7-15(2)8-10-21/h4-6,12,15,17,22H,3,7-11,13-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide has a molecular weight of 334.46 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide is sourced from PubChem (CID 111112837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).