N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide

C26H35N3O2 — CID 24654813

IUPACN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C26H35N3O2/c1-21-5-9-23(10-6-21)25(20-29-15-17-31-18-16-29)27-26(30)24-11-7-22(8-12-24)19-28-13-3-2-4-14-28/h5-12,25H,2-4,13-20H2,1H3,(H,27,30)
InChIKeyVIYNNUWWMKUFFL-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.78
Rot. Bonds7

About N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 24654813) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID24654813
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C26H35N3O2/c1-21-5-9-23(10-6-21)25(20-29-15-17-31-18-16-29)27-26(30)24-11-7-22(8-12-24)19-28-13-3-2-4-14-28/h5-12,25H,2-4,13-20H2,1H3,(H,27,30)
InChIKeyVIYNNUWWMKUFFL-UHFFFAOYSA-N
XLogP3.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-[(1S)-1-(4-methoxyphenyl)propyl]-4-(morpholin-4-ylmethyl)benzamide
CID 28579988
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 31383538
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 24654813) is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide is Cc1ccc(C(CN2CCOCC2)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is VIYNNUWWMKUFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21-5-9-23(10-6-21)25(20-29-15-17-31-18-16-29)27-26(30)24-11-7-22(8-12-24)19-28-13-3-2-4-14-28/h5-12,25H,2-4,13-20H2,1H3,(H,27,30).
What are the key properties of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 421.59 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 24654813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).