2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide

C19H29N3O3 — CID 120800414

IUPAC2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1cccc(N2CCCC(NC(=O)C(N)C3CCOCC3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-24-17-6-2-5-16(12-17)22-9-3-4-15(13-22)21-19(23)18(20)14-7-10-25-11-8-14/h2,5-6,12,14-15,18H,3-4,7-11,13,20H2,1H3,(H,21,23)
InChIKeySMGBXMRUMPUQMC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide

2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide (PubChem CID 120800414) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
PubChem CID120800414
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1cccc(N2CCCC(NC(=O)C(N)C3CCOCC3)C2)c1
InChIInChI=1S/C19H29N3O3/c1-24-17-6-2-5-16(12-17)22-9-3-4-15(13-22)21-19(23)18(20)14-7-10-25-11-8-14/h2,5-6,12,14-15,18H,3-4,7-11,13,20H2,1H3,(H,21,23)
InChIKeySMGBXMRUMPUQMC-UHFFFAOYSA-N
XLogP1.53
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800769
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
4-(aminomethyl)-N-[1-(3-methoxyphenyl)pyrrolidin-3-yl]oxane-4-carboxamide
CID 120940743
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide (CID 120800414) is 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide is COc1cccc(N2CCCC(NC(=O)C(N)C3CCOCC3)C2)c1.
What is the InChIKey of 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is SMGBXMRUMPUQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-17-6-2-5-16(12-17)22-9-3-4-15(13-22)21-19(23)18(20)14-7-10-25-11-8-14/h2,5-6,12,14-15,18H,3-4,7-11,13,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide?
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120800414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).