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

C17H24ClN3O2 — CID 119278567

IUPAC2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H23N3O2.ClH/c18-15(12-4-2-1-3-5-12)16(21)19-14-8-10-20(11-9-14)17(22)13-6-7-13;/h1-5,13-15H,6-11,18H2,(H,19,21);1H
InChIKeyXWQZBAQHWXQAAP-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.63
Rot. Bonds4

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

2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride (PubChem CID 119278567) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
PubChem CID119278567
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H23N3O2.ClH/c18-15(12-4-2-1-3-5-12)16(21)19-14-8-10-20(11-9-14)17(22)13-6-7-13;/h1-5,13-15H,6-11,18H2,(H,19,21);1H
InChIKeyXWQZBAQHWXQAAP-UHFFFAOYSA-N
XLogP1.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride (CID 119278567) is 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride is Cl.NC(C(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The InChIKey is XWQZBAQHWXQAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-15(12-4-2-1-3-5-12)16(21)19-14-8-10-20(11-9-14)17(22)13-6-7-13;/h1-5,13-15H,6-11,18H2,(H,19,21);1H.
What are the key properties of 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119278567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).