2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride

C18H29Cl2N3O2 — CID 120800731

IUPAC2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CCCN(c2ccccc2)C1)C1CCOCC1
InChIInChI=1S/C18H27N3O2.2ClH/c19-17(14-8-11-23-12-9-14)18(22)20-15-5-4-10-21(13-15)16-6-2-1-3-7-16;;/h1-3,6-7,14-15,17H,4-5,8-13,19H2,(H,20,22);2*1H
InChIKeyCPKUAIFFHSWDTN-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.37
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride (PubChem CID 120800731) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
PubChem CID120800731
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CCCN(c2ccccc2)C1)C1CCOCC1
InChIInChI=1S/C18H27N3O2.2ClH/c19-17(14-8-11-23-12-9-14)18(22)20-15-5-4-10-21(13-15)16-6-2-1-3-7-16;;/h1-3,6-7,14-15,17H,4-5,8-13,19H2,(H,20,22);2*1H
InChIKeyCPKUAIFFHSWDTN-UHFFFAOYSA-N
XLogP2.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
2-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800769
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120793480
2-amino-2-(oxan-4-yl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide;hydrochloride
CID 120792867
(1-phenylpiperidin-3-yl)urea
CID 121416777
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride (CID 120800731) is 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NC1CCCN(c2ccccc2)C1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride?
The InChIKey is CPKUAIFFHSWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c19-17(14-8-11-23-12-9-14)18(22)20-15-5-4-10-21(13-15)16-6-2-1-3-7-16;;/h1-3,6-7,14-15,17H,4-5,8-13,19H2,(H,20,22);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).