2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide

C27H34N4O2 — CID 55525539

IUPAC2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C27H34N4O2/c1-20(26(32)28-23-13-15-30(16-14-23)19-21-7-3-2-4-8-21)31-17-11-22(12-18-31)27-29-24-9-5-6-10-25(24)33-27/h2-10,20,22-23H,11-19H2,1H3,(H,28,32)
InChIKeyXTMVFULIFOBLDL-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.18
Rot. Bonds6

About 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide

2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide (PubChem CID 55525539) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
PubChem CID55525539
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C27H34N4O2/c1-20(26(32)28-23-13-15-30(16-14-23)19-21-7-3-2-4-8-21)31-17-11-22(12-18-31)27-29-24-9-5-6-10-25(24)33-27/h2-10,20,22-23H,11-19H2,1H3,(H,28,32)
InChIKeyXTMVFULIFOBLDL-UHFFFAOYSA-N
XLogP4.18
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60512011
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-(1-benzylpiperidin-4-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60613965
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-N-methylazetidine-3-carboxamide
CID 119034158
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[4-(1,3-benzoxazol-2-yl)cyclohexyl]-2-chloro-2-fluoroacetamide
CID 166428062
4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide (CID 55525539) is 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide is CC(C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide?
The InChIKey is XTMVFULIFOBLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20(26(32)28-23-13-15-30(16-14-23)19-21-7-3-2-4-8-21)31-17-11-22(12-18-31)27-29-24-9-5-6-10-25(24)33-27/h2-10,20,22-23H,11-19H2,1H3,(H,28,32).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide?
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide has a molecular weight of 446.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide is sourced from PubChem (CID 55525539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).