4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine

C22H33N3O4 — CID 68919965

IUPAC4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine
SMILESCNC.Cc1cc2c(CCC3CCN(C(=O)O)CC3)noc2cc1OCC1CC1
InChIInChI=1S/C20H26N2O4.C2H7N/c1-13-10-16-17(5-4-14-6-8-22(9-7-14)20(23)24)21-26-19(16)11-18(13)25-12-15-2-3-15;1-3-2/h10-11,14-15H,2-9,12H2,1H3,(H,23,24);3H,1-2H3
InChIKeySAGUBBPWXPUFHT-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.08
Rot. Bonds6

About 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine

4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine (PubChem CID 68919965) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine.

Molecular Properties

Compound Name4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine
PubChem CID68919965
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine
SMILESCNC.Cc1cc2c(CCC3CCN(C(=O)O)CC3)noc2cc1OCC1CC1
InChIInChI=1S/C20H26N2O4.C2H7N/c1-13-10-16-17(5-4-14-6-8-22(9-7-14)20(23)24)21-26-19(16)11-18(13)25-12-15-2-3-15;1-3-2/h10-11,14-15H,2-9,12H2,1H3,(H,23,24);3H,1-2H3
InChIKeySAGUBBPWXPUFHT-UHFFFAOYSA-N
XLogP4.08
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[7-(cyclopropylmethoxy)-6-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68916795
N-methylmethanamine;4-[2-[7-methyl-6-(thiophen-2-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68922369
[6-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamic acid;N-methylmethanamine
CID 68923120
4-[2-[6-[(2-cyanophenyl)methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68921080
4-[2-[7-[(dimethylamino)methyl]-6-(oxolan-3-ylmethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68925323
3-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile;N-methylmethanamine
CID 68919505
tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-(hydroxymethyl)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018377
4-[2-(7-methyl-6-prop-1-ynyl-1,2-benzoxazol-3-yl)ethyl]piperidine-1-carboxylic acid
CID 68924980
tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018658
N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
CID 68920303
tert-butyl 4-[2-[7-methyl-6-(2,2,2-trifluoroethoxy)-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
CID 68924018
4-[2-[6-[(5-cyano-2-pyridinyl)methoxy]-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid
CID 68922988

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine?
The IUPAC name of 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine (CID 68919965) is 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine.
What is the SMILES notation for 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine?
The canonical SMILES for 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine is CNC.Cc1cc2c(CCC3CCN(C(=O)O)CC3)noc2cc1OCC1CC1.
What is the InChIKey of 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine?
The InChIKey is SAGUBBPWXPUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.C2H7N/c1-13-10-16-17(5-4-14-6-8-22(9-7-14)20(23)24)21-26-19(16)11-18(13)25-12-15-2-3-15;1-3-2/h10-11,14-15H,2-9,12H2,1H3,(H,23,24);3H,1-2H3.
What are the key properties of 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine?
4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine has a molecular weight of 403.52 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(cyclopropylmethoxy)-5-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylic acid;N-methylmethanamine is sourced from PubChem (CID 68919965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).