2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride

C18H22ClN3O3 — CID 119277094

IUPAC2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C18H21N3O3.ClH/c19-16(13-5-2-1-3-6-13)17(22)20-14-8-10-21(11-9-14)18(23)15-7-4-12-24-15;/h1-7,12,14,16H,8-11,19H2,(H,20,22);1H
InChIKeyVAWATMURVQNADA-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride

2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride (PubChem CID 119277094) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
PubChem CID119277094
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C18H21N3O3.ClH/c19-16(13-5-2-1-3-6-13)17(22)20-14-8-10-21(11-9-14)18(23)15-7-4-12-24-15;/h1-7,12,14,16H,8-11,19H2,(H,20,22);1H
InChIKeyVAWATMURVQNADA-UHFFFAOYSA-N
XLogP2.12
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride (CID 119277094) is 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride is Cl.NC(C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The InChIKey is VAWATMURVQNADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c19-16(13-5-2-1-3-6-13)17(22)20-14-8-10-21(11-9-14)18(23)15-7-4-12-24-15;/h1-7,12,14,16H,8-11,19H2,(H,20,22);1H.
What are the key properties of 2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.12, 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-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119277094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).