2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide

C18H27N3O4 — CID 119380963

IUPAC2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2CCCC(N)C2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C18H27N3O4/c1-12(2)20-17(22)11-25-15-7-6-13(9-16(15)24-3)18(23)21-8-4-5-14(19)10-21/h6-7,9,12,14H,4-5,8,10-11,19H2,1-3H3,(H,20,22)
InChIKeyCECJVNVCAFGURQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.16
Rot. Bonds6

About 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide

2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 119380963) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID119380963
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(C(=O)N2CCCC(N)C2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C18H27N3O4/c1-12(2)20-17(22)11-25-15-7-6-13(9-16(15)24-3)18(23)21-8-4-5-14(19)10-21/h6-7,9,12,14H,4-5,8,10-11,19H2,1-3H3,(H,20,22)
InChIKeyCECJVNVCAFGURQ-UHFFFAOYSA-N
XLogP1.16
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
(3-aminopiperidin-1-yl)-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119379632
2-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 120657442
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
2-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 55851382
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
[(3R)-3-aminopiperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 102978473
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
2-[2-methoxy-4-[(4R)-4-propylazepane-1-carbonyl]phenoxy]acetamide
CID 94797465
2-[2-methoxy-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 55781175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide (CID 119380963) is 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide is COc1cc(C(=O)N2CCCC(N)C2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is CECJVNVCAFGURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-12(2)20-17(22)11-25-15-7-6-13(9-16(15)24-3)18(23)21-8-4-5-14(19)10-21/h6-7,9,12,14H,4-5,8,10-11,19H2,1-3H3,(H,20,22).
What are the key properties of 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopiperidine-1-carbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 119380963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).