N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide

C23H30N2O2 — CID 21229720

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-17(2)16-27-22-6-4-5-19(15-22)23(26)24-20-7-9-21(10-8-20)25-13-11-18(3)12-14-25/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyFFWLZOUTMWERIQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.21
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide (PubChem CID 21229720) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
PubChem CID21229720
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-17(2)16-27-22-6-4-5-19(15-22)23(26)24-20-7-9-21(10-8-20)25-13-11-18(3)12-14-25/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,24,26)
InChIKeyFFWLZOUTMWERIQ-UHFFFAOYSA-N
XLogP5.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17128061
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22778353
3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
N-(4-ethylsulfonylphenyl)-3-(2-methylpropoxy)benzamide
CID 39862674
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide (CID 21229720) is N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is FFWLZOUTMWERIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-17(2)16-27-22-6-4-5-19(15-22)23(26)24-20-7-9-21(10-8-20)25-13-11-18(3)12-14-25/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 366.51 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 21229720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).