4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide

C18H27N3O4 — CID 110822362

IUPAC4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H27N3O4/c1-13(2)19-18(23)21-10-8-14(9-11-21)20-17(22)12-25-16-7-5-4-6-15(16)24-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyLRPQLPXGBGYMKX-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.77
Rot. Bonds6

About 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide

4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 110822362) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID110822362
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C18H27N3O4/c1-13(2)19-18(23)21-10-8-14(9-11-21)20-17(22)12-25-16-7-5-4-6-15(16)24-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyLRPQLPXGBGYMKX-UHFFFAOYSA-N
XLogP1.77
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
4-[[2-(3-fluorophenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822394
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(2-methoxyphenoxy)-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]acetamide
CID 108556719
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide (CID 110822362) is 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide is COc1ccccc1OCC(=O)NC1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LRPQLPXGBGYMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13(2)19-18(23)21-10-8-14(9-11-21)20-17(22)12-25-16-7-5-4-6-15(16)24-3/h4-7,13-14H,8-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide?
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 110822362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).