4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide

C22H25N3O3 — CID 86912723

IUPAC4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H25N3O3/c1-27-19-8-4-2-6-16(19)10-13-23-22(26)25-14-11-17(12-15-25)21-24-18-7-3-5-9-20(18)28-21/h2-9,17H,10-15H2,1H3,(H,23,26)
InChIKeySZBIHVCUBJGQNK-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.97
Rot. Bonds5

About 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 86912723) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID86912723
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H25N3O3/c1-27-19-8-4-2-6-16(19)10-13-23-22(26)25-14-11-17(12-15-25)21-24-18-7-3-5-9-20(18)28-21/h2-9,17H,10-15H2,1H3,(H,23,26)
InChIKeySZBIHVCUBJGQNK-UHFFFAOYSA-N
XLogP3.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 110628856
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 24545076
4-(1,3-benzoxazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 38202837
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 31187475
4-(1,3-benzoxazol-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55798834
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
4-(1,3-benzoxazol-2-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 55929808

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 86912723) is 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccccc1CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is SZBIHVCUBJGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-19-8-4-2-6-16(19)10-13-23-22(26)25-14-11-17(12-15-25)21-24-18-7-3-5-9-20(18)28-21/h2-9,17H,10-15H2,1H3,(H,23,26).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 86912723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).