2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide

C22H27N3O3 — CID 40939827

IUPAC2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)cc1
InChIInChI=1S/C22H27N3O3/c1-15-6-9-18(10-7-15)28-16(2)22(27)24-20-11-8-17(14-19(20)21(23)26)25-12-4-3-5-13-25/h6-11,14,16H,3-5,12-13H2,1-2H3,(H2,23,26)(H,24,27)/t16-/m1/s1
InChIKeyJNORCMOKFCCYNJ-MRXNPFEDSA-N
MW381.48 g/mol
LogP3.49
Rot. Bonds6

About 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide

2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide (PubChem CID 40939827) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide
PubChem CID40939827
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)cc1
InChIInChI=1S/C22H27N3O3/c1-15-6-9-18(10-7-15)28-16(2)22(27)24-20-11-8-17(14-19(20)21(23)26)25-12-4-3-5-13-25/h6-11,14,16H,3-5,12-13H2,1-2H3,(H2,23,26)(H,24,27)/t16-/m1/s1
InChIKeyJNORCMOKFCCYNJ-MRXNPFEDSA-N
XLogP3.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166686
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-(4-methylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 43024969
(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
(2S)-2-(4-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 30857195
N-[4-(azepan-1-yl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 18291163
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 18268297
5-methyl-2-(2-phenoxypropanoylamino)benzoic acid
CID 2925600
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide (CID 40939827) is 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide?
The InChIKey is JNORCMOKFCCYNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-6-9-18(10-7-15)28-16(2)22(27)24-20-11-8-17(14-19(20)21(23)26)25-12-4-3-5-13-25/h6-11,14,16H,3-5,12-13H2,1-2H3,(H2,23,26)(H,24,27)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide?
2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]-5-piperidin-1-ylbenzamide is sourced from PubChem (CID 40939827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).