N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

C28H31N3O3 — CID 139801461

IUPACN-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(c1ccccc1)C1CCN(CCN(C(=O)c2ccccc2)c2onc3c2CCCC3)CC1
InChIInChI=1S/C28H31N3O3/c32-26(21-9-3-1-4-10-21)22-15-17-30(18-16-22)19-20-31(27(33)23-11-5-2-6-12-23)28-24-13-7-8-14-25(24)29-34-28/h1-6,9-12,22H,7-8,13-20H2
InChIKeyNEQHGPDEUBEANM-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (PubChem CID 139801461) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
PubChem CID139801461
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(c1ccccc1)C1CCN(CCN(C(=O)c2ccccc2)c2onc3c2CCCC3)CC1
InChIInChI=1S/C28H31N3O3/c32-26(21-9-3-1-4-10-21)22-15-17-30(18-16-22)19-20-31(27(33)23-11-5-2-6-12-23)28-24-13-7-8-14-25(24)29-34-28/h1-6,9-12,22H,7-8,13-20H2
InChIKeyNEQHGPDEUBEANM-UHFFFAOYSA-N
XLogP4.80
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide with MolForge

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Related Compounds

4-amino-N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)benzamide
CID 139801497
N-[3-(4-benzoylpiperidin-1-yl)propyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-4-nitrobenzamide
CID 139801423
N-[2-[4-(2,3-dimethoxybenzoyl)piperidin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801493
4-amino-N-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801498
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4-nitro-N-(5,6,7,8-tetrahydroquinazolin-4-yl)benzamide
CID 139801484
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
CID 91529814
N-[2-[4-(2-chlorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-4-nitrobenzamide
CID 139801447
N-[2-(4-benzoylpiperidin-1-yl)ethyl]-4-[(4-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 139760427
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801464
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-4-nitrobenzamide
CID 139801554
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The IUPAC name of N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (CID 139801461) is N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The canonical SMILES for N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is O=C(c1ccccc1)C1CCN(CCN(C(=O)c2ccccc2)c2onc3c2CCCC3)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The InChIKey is NEQHGPDEUBEANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c32-26(21-9-3-1-4-10-21)22-15-17-30(18-16-22)19-20-31(27(33)23-11-5-2-6-12-23)28-24-13-7-8-14-25(24)29-34-28/h1-6,9-12,22H,7-8,13-20H2.
What are the key properties of N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide has a molecular weight of 457.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperidin-1-yl)ethyl]-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 139801461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).