2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride

C19H27ClFN3O3 — CID 120786287

IUPAC2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)C1CCOCC1
InChIInChI=1S/C19H26FN3O3.ClH/c20-16-4-2-1-3-15(16)19(25)23-9-5-14(6-10-23)22-18(24)17(21)13-7-11-26-12-8-13;/h1-4,13-14,17H,5-12,21H2,(H,22,24);1H
InChIKeyMPCLHVKOERNTIN-UHFFFAOYSA-N
MW399.89 g/mol
LogP1.72
Rot. Bonds4

About 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120786287) has the molecular formula C19H27ClFN3O3 and a molecular weight of 399.89 g/mol. Its IUPAC name is 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120786287
Molecular FormulaC19H27ClFN3O3
Molecular Weight399.89 g/mol
Exact Mass399.17
IUPAC Name2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)C1CCOCC1
InChIInChI=1S/C19H26FN3O3.ClH/c20-16-4-2-1-3-15(16)19(25)23-9-5-14(6-10-23)22-18(24)17(21)13-7-11-26-12-8-13;/h1-4,13-14,17H,5-12,21H2,(H,22,24);1H
InChIKeyMPCLHVKOERNTIN-UHFFFAOYSA-N
XLogP1.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(oxan-4-yl)propanamide
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2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
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CID 120788504
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
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4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
2-amino-N-[1-(2,6-difluorophenyl)-2-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795893
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120786287) is 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is MPCLHVKOERNTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3.ClH/c20-16-4-2-1-3-15(16)19(25)23-9-5-14(6-10-23)22-18(24)17(21)13-7-11-26-12-8-13;/h1-4,13-14,17H,5-12,21H2,(H,22,24);1H.
What are the key properties of 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 399.89 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120786287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).