N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide

C23H30N2O2 — CID 120557297

IUPACN-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OC(C(=O)NC2CCNCC2C)c2ccccc2)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)19-10-7-11-20(14-19)27-22(18-8-5-4-6-9-18)23(26)25-21-12-13-24-15-17(21)3/h4-11,14,16-17,21-22,24H,12-13,15H2,1-3H3,(H,25,26)
InChIKeyTXIOTMPTPKTCBN-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.04
Rot. Bonds6

About N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide

N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 120557297) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID120557297
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OC(C(=O)NC2CCNCC2C)c2ccccc2)c1
InChIInChI=1S/C23H30N2O2/c1-16(2)19-10-7-11-20(14-19)27-22(18-8-5-4-6-9-18)23(26)25-21-12-13-24-15-17(21)3/h4-11,14,16-17,21-22,24H,12-13,15H2,1-3H3,(H,25,26)
InChIKeyTXIOTMPTPKTCBN-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 120556407
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119456064
N-(3-methylpiperidin-4-yl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120554727
N-(3-methylpiperidin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120554482
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
CID 120556674
N-(3-methylpiperidin-4-yl)-2-phenylpentanamide
CID 120556814
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556673
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide (CID 120557297) is N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OC(C(=O)NC2CCNCC2C)c2ccccc2)c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is TXIOTMPTPKTCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)19-10-7-11-20(14-19)27-22(18-8-5-4-6-9-18)23(26)25-21-12-13-24-15-17(21)3/h4-11,14,16-17,21-22,24H,12-13,15H2,1-3H3,(H,25,26).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 120557297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).