N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide

C30H37N3O3 — CID 53103487

IUPACN-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
SMILESCc1ccc(-c2nc3cc(C(=O)N4CCC(C(C)C(=O)NC5CCCCCC5)CC4)ccc3o2)cc1
InChIInChI=1S/C30H37N3O3/c1-20-9-11-23(12-10-20)29-32-26-19-24(13-14-27(26)36-29)30(35)33-17-15-22(16-18-33)21(2)28(34)31-25-7-5-3-4-6-8-25/h9-14,19,21-22,25H,3-8,15-18H2,1-2H3,(H,31,34)
InChIKeyDRZQILNNOYRJOK-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.13
Rot. Bonds5

About N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide

N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide (PubChem CID 53103487) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
PubChem CID53103487
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
SMILESCc1ccc(-c2nc3cc(C(=O)N4CCC(C(C)C(=O)NC5CCCCCC5)CC4)ccc3o2)cc1
InChIInChI=1S/C30H37N3O3/c1-20-9-11-23(12-10-20)29-32-26-19-24(13-14-27(26)36-29)30(35)33-17-15-22(16-18-33)21(2)28(34)31-25-7-5-3-4-6-8-25/h9-14,19,21-22,25H,3-8,15-18H2,1-2H3,(H,31,34)
InChIKeyDRZQILNNOYRJOK-UHFFFAOYSA-N
XLogP6.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclopentyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95083824
N-[2-(azepan-1-yl)ethyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103512
N-(2-methoxyethyl)-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 53103501
2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 53031103
(2S)-N-[(4-methoxyphenyl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95083829
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 95083620
(2S)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061123
(2R)-N-(2-chlorophenyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95083556
N-[(4-ethylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 53103442
N-cycloheptyl-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103368
(2R)-N-[(4-methylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]propanamide
CID 92503917
(2S)-N-(3-ethoxypropyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]propanamide
CID 95083674

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide (CID 53103487) is N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide is Cc1ccc(-c2nc3cc(C(=O)N4CCC(C(C)C(=O)NC5CCCCCC5)CC4)ccc3o2)cc1.
What is the InChIKey of N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is DRZQILNNOYRJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-20-9-11-23(12-10-20)29-32-26-19-24(13-14-27(26)36-29)30(35)33-17-15-22(16-18-33)21(2)28(34)31-25-7-5-3-4-6-8-25/h9-14,19,21-22,25H,3-8,15-18H2,1-2H3,(H,31,34).
What are the key properties of N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide?
N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 487.64 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53103487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).