1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide

C20H26ClN3O3 — CID 155505078

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCC1
InChIInChI=1S/C20H26ClN3O3/c1-26-13-20(7-3-8-20)12-22-18(25)14-4-2-9-24(11-14)19-23-16-10-15(21)5-6-17(16)27-19/h5-6,10,14H,2-4,7-9,11-13H2,1H3,(H,22,25)
InChIKeyXXLTWZWUVBGWPF-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.63
Rot. Bonds6

About 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide (PubChem CID 155505078) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide
PubChem CID155505078
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCC1
InChIInChI=1S/C20H26ClN3O3/c1-26-13-20(7-3-8-20)12-22-18(25)14-4-2-9-24(11-14)19-23-16-10-15(21)5-6-17(16)27-19/h5-6,10,14H,2-4,7-9,11-13H2,1H3,(H,22,25)
InChIKeyXXLTWZWUVBGWPF-UHFFFAOYSA-N
XLogP3.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(methanesulfonamido)ethyl]piperidine-3-carboxamide
CID 155497627
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 154567273
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 154818376
1-(5-chloro-1,3-benzoxazol-2-yl)-N-(1-ethoxy-2-methylpropan-2-yl)piperidine-3-carboxamide;formic acid
CID 163333712
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 154565157
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154567874
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
methyl 4-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]butanoate
CID 155493792
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide
CID 154821093
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
methyl (E)-4-[[4-(5-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]methylamino]-4-oxobut-2-enoate
CID 146099516
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide (CID 155505078) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide is COCC1(CNC(=O)C2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCC1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide?
The InChIKey is XXLTWZWUVBGWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-26-13-20(7-3-8-20)12-22-18(25)14-4-2-9-24(11-14)19-23-16-10-15(21)5-6-17(16)27-19/h5-6,10,14H,2-4,7-9,11-13H2,1H3,(H,22,25).
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 155505078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).